annotate CADDSuite-1.6/data/OpenBabel/gaff.dat @ 8:dbb480e39d95 draft

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author marcel
date Sat, 15 Dec 2012 13:15:46 -0500
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1 AMBER General Force Field for organic molecules (Version 1.4, March 2010) add. info. at the end
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2 c 12.01 0.616 Sp2 C carbonyl group
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3 c1 12.01 0.360 Sp C
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4 c2 12.01 0.360 Sp2 C
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5 c3 12.01 0.878 Sp3 C
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6 ca 12.01 0.360 Sp2 C in pure aromatic systems
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7 cp 12.01 0.360 Head Sp2 C that connect two rings in biphenyl sys.
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8 cq 12.01 0.360 Head Sp2 C that connect two rings in biphenyl sys. identical to cp
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9 cc 12.01 0.360 Sp2 carbons in non-pure aromatic systems
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10 cd 12.01 0.360 Sp2 carbons in non-pure aromatic systems, identical to cc
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11 ce 12.01 0.360 Inner Sp2 carbons in conjugated systems
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12 cf 12.01 0.360 Inner Sp2 carbons in conjugated systems, identical to ce
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13 cg 12.01 0.360 Inner Sp carbons in conjugated systems
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14 ch 12.01 0.360 Inner Sp carbons in conjugated systems, identical to cg
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15 cx 12.01 0.360 Sp3 carbons in triangle systems
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16 cy 12.01 0.360 Sp3 carbons in square systems
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17 cu 12.01 0.360 Sp2 carbons in triangle systems
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18 cv 12.01 0.360 Sp2 carbons in square systems
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19 cz 12.01 0.360 Sp2 carbon in guanidine group
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20 h1 1.008 0.135 H bonded to aliphatic carbon with 1 electrwd. group
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21 h2 1.008 0.135 H bonded to aliphatic carbon with 2 electrwd. group
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22 h3 1.008 0.135 H bonded to aliphatic carbon with 3 electrwd. group
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23 h4 1.008 0.135 H bonded to non-sp3 carbon with 1 electrwd. group
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24 h5 1.008 0.135 H bonded to non-sp3 carbon with 2 electrwd. group
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25 ha 1.008 0.135 H bonded to aromatic carbon
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26 hc 1.008 0.135 H bonded to aliphatic carbon without electrwd. group
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27 hn 1.008 0.161 H bonded to nitrogen atoms
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28 ho 1.008 0.135 Hydroxyl group
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29 hp 1.008 0.135 H bonded to phosphate
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30 hs 1.008 0.135 Hydrogen bonded to sulphur
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31 hw 1.008 0.135 Hydrogen in water
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32 hx 1.008 0.135 H bonded to C next to positively charged group
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33 f 19.00 0.320 Fluorine
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34 cl 35.45 1.910 Chlorine
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35 br 79.90 2.880 Bromine
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36 i 126.9 4.690 Iodine
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37 n 14.01 0.530 Sp2 nitrogen in amide groups
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38 n1 14.01 0.530 Sp N
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39 n2 14.01 0.530 aliphatic Sp2 N with two connected atoms
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40 n3 14.01 0.530 Sp3 N with three connected atoms
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41 n4 14.01 0.530 Sp3 N with four connected atoms
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42 na 14.01 0.530 Sp2 N with three connected atoms
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43 nb 14.01 0.530 Sp2 N in pure aromatic systems
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44 nc 14.01 0.530 Sp2 N in non-pure aromatic systems
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45 nd 14.01 0.530 Sp2 N in non-pure aromatic systems, identical to nc
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46 ne 14.01 0.530 Inner Sp2 N in conjugated systems
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47 nf 14.01 0.530 Inner Sp2 N in conjugated systems, identical to ne
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48 nh 14.01 0.530 Amine N connected one or more aromatic rings
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49 no 14.01 0.530 Nitro N
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50 o 16.00 0.434 Oxygen with one connected atom
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51 oh 16.00 0.465 Oxygen in hydroxyl group
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52 os 16.00 0.465 Ether and ester oxygen
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53 ow 16.00 0.465 Oxygen in water
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54 p2 30.97 1.538 Phosphate with two connected atoms
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55 p3 30.97 1.538 Phosphate with three connected atoms, such as PH3
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56 p4 30.97 1.538 Phosphate with three connected atoms, such as O=P(CH3)2
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57 p5 30.97 1.538 Phosphate with four connected atoms, such as O=P(OH)3
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58 pb 30.97 1.538 Sp2 P in pure aromatic systems
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59 pc 30.97 1.538 Sp2 P in non-pure aromatic systems
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60 pd 30.97 1.538 Sp2 P in non-pure aromatic systems, identical to pc
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61 pe 30.97 1.538 Inner Sp2 P in conjugated systems
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62 pf 30.97 1.538 Inner Sp2 P in conjugated systems, identical to pe
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63 px 30.97 1.538 Special p4 in conjugated systems
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64 py 30.97 1.538 Special p5 in conjugated systems
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65 s 32.06 2.900 S with one connected atom
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66 s2 32.06 2.900 S with two connected atom, involved at least one double bond
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67 s4 32.06 2.900 S with three connected atoms
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68 s6 32.06 2.900 S with four connected atoms
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69 sh 32.06 2.900 Sp3 S connected with hydrogen
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70 ss 32.06 2.900 Sp3 S in thio-ester and thio-ether
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71 sx 32.06 2.900 Special s4 in conjugated systems
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72 sy 32.06 2.900 Special s6 in conjugated systems
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73
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74 hn ho hs n na nc nd ne nf n2 n3 n4 o oh os ow sh ss
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75 ow-hw 553.0 0.9572 TIP3P_Water 1
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76 br-br 123.2 2.5420 SOURCE1 4 0.0000
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77 br-c1 352.7 1.7870 SOURCE2 4 0.0024
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78 br-c2 278.7 1.8830 SOURCE1 31 0.0000
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79 br-c 240.3 1.9460 SOURCE2 2 0.0285
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80 br-c3 229.5 1.9660 SOURCE1 100 0.0000
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81 br-ca 269.6 1.8970 SOURCE1 127 0.0058
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82 br-cc 277.6 1.8847 SOURCE4 39 0.0068
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83 br-cx 261.4 1.9100 SOURCE1 8 0.0000
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84 br-i 142.4 2.6710 SOURCE1 2 0.0245
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85 br-n1 330.4 1.8600 SOUECE3 1
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86 br-n2 219.0 2.0380 SOURCE3 5 0.1082
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87 br-n 320.2 1.8730 SOURCE3 4 0.0046
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88 br-n3 265.9 1.9520 SOURCE3 2 0.0000
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89 br-n4 282.4 1.9260 SOURCE3 3 0.0013
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90 br-na 237.3 2.0020 SOURCE3 7 0.2156
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91 br-nh 270.9 1.9440 SOURCE3 1 0.0000
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92 br-no 191.0 2.1010 SOURCE3 1 0.0000
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93 br-o 278.9 1.8000 SOUECE3 1
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94 br-oh 237.2 1.8660 SOURCE3 1 0.0000
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95 br-os 225.6 1.8870 SOURCE3 2 0.0000
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96 br-p2 174.3 2.2100 SOURCE3 9 0.0510
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97 br-p3 167.0 2.2310 SOURCE3 3 0.0101
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98 br-p4 188.8 2.1710 SOUECE3 1
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99 br-p5 179.3 2.1960 SOURCE3 3 0.0099
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100 br-s 170.6 2.2200 SOUECE3 1
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101 br-s4 134.3 2.3410 SOURCE3 1 0.0000
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102 br-s6 172.7 2.2140 SOURCE3 3 0.0443
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103 br-sh 174.4 2.2090 SOURCE3 1 0.0000
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104 br-ss 176.6 2.2030 SOURCE3 3 0.0035
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105 c1-c1 986.2 1.1810 SOURCE1 265 0.0031
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106 c1-c2 625.0 1.3070 SOURCE1 18 0.0000
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107 c1-c3 368.3 1.4700 SOURCE1 215 0.0017
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108 c1-ca 404.1 1.4400 SOUECE3 1
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109 c1-ce 607.4 1.3153 SOURCE4 6 0.0086
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110 c1-cg 845.8 1.2220 SOURCE3 22 0.0101
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111 c1-ch 845.8 1.2220 SOURCE3 22 same_as_c1-cg
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112 c1-cl 419.7 1.6310 SOURCE2 6 0.0050
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113 c1-cx 399.1 1.4440 SOURCE1 38 0.0000
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114 c1-f 469.4 1.2700 SOURCE2 2 0.0085
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115 c1-ha 375.9 1.0660 SOURCE3 63 0.0035
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116 c1-hc 385.6 1.0600 SOUECE3 1
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117 c1-i 318.8 1.9890 SOURCE2 4 0.0032
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118 c1-n1 1014.5 1.1380 SOURCE1 170 0.0055
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119 c1-n2 769.8 1.2100 SOURCE3 5 0.0115
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120 c1-n3 409.8 1.3920 SOURCE2 1 0.0000
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121 c1-n4 378.2 1.4170 SOURCE3 3 0.0032
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122 c1-n 503.0 1.3300 SOUECE3 1
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123 c1-na 452.0 1.3620 SOURCE3 8 0.0034
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124 c1-ne 803.3 1.1986 SOURCE4 10 0.0088
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125 c1-nf 803.3 1.1986 SOURCE4 10 same_as_c1-ne
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126 c1-nh 485.0 1.3408 SOURCE4 11 0.0037
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127 c1-no 393.0 1.4050 SOURCE3 3 0.0005
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128 c1-o 777.0 1.1660 SOURCE2 9 0.0052
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129 c1-oh 435.6 1.3260 SOURCE3 1 0.0000
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130 c1-os 437.1 1.3250 SOURCE3 3 0.0148
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131 c1-p2 289.3 1.7700 SOUECE3 1
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132 c1-p3 275.1 1.7900 SOUECE3 1
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133 c1-p4 275.1 1.7900 SOUECE3 1
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134 c1-p5 302.2 1.7530 SOURCE3 2 0.0000
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135 c1-s2 410.0 1.5950 SOURCE3 1 0.0000
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136 c1-s 371.8 1.6300 SOURCE1 14 0.0000
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137 c1-s4 272.9 1.7460 SOURCE3 2 0.0000
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138 c1-s6 290.4 1.7220 SOURCE3 2 0.0000
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139 c1-sh 324.5 1.6800 SOUECE3 1
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140 c1-ss 325.4 1.6790 SOURCE1 10 0.0000
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141 c2-c2 589.7 1.3240 SOURCE1 974 0.0096
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142 c2-c3 328.3 1.5080 SOURCE1 2536 0.0021
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143 c2-ca 357.2 1.4800 SOUECE3 1
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144 c2-cc 522.6 1.3600 SOURCE1 771 0.0185
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145 c2-cd 522.6 1.3600 SOURCE1 771 0.0185
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146 c2-ce 560.5 1.3390 SOURCE3 62 0.0128
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147 c2-cf 560.5 1.3390 SOURCE3 62 same_as_c2-ce
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148 c2-cl 328.8 1.7220 SOURCE1 163 0.0098
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149 c2-cu 573.9 1.3320 SOURCE2 1 0.0000
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150 c2-cx 353.3 1.4836 SOURCE4 26 0.0064
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151 c2-cy 331.7 1.5046 SOURCE4 9 0.0053
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152 c2-f 368.7 1.3400 SOURCE1 34 0.0000
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153 c2-h4 348.6 1.0840 SOURCE3 40 0.0058
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154 c2-h5 338.0 1.0915 SOURCE4 42 0.0017
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155 c2-ha 344.3 1.0870 SOURCE3 797 0.0046
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156 c2-hc 344.3 1.0870 SOURCE3 789 0.0046
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157 c2-hx 350.1 1.0830 SOURCE3 3 0.0008
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158 c2-i 223.2 2.1530 SOURCE3 2 0.0000
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159 c2-n1 546.0 1.3060 SOURCE3 4 0.0161
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160 c2-n2 581.1 1.2880 SOURCE1 103 0.0100
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161 c2-n3 486.3 1.3400 SOUECE3 1
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162 c2-n 390.5 1.4070 SOURCE3 9 0.0124
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163 c2-n4 309.1 1.4820 SOURCE3 5 0.0064
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164 c2-na 411.1 1.3910 SOURCE3 31 0.0289
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165 c2-nc 533.0 1.3130 SOURCE1 99 0.0095
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166 c2-nd 533.0 1.3130 SOURCE1 99 same_as_c2-nc
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167 c2-ne 597.7 1.2800 SOURCE3 37 0.0110
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168 c2-nf 597.7 1.2800 SOURCE3 37 same_as_c2-ne
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169 c2-nh 462.6 1.3550 SOURCE3 38 0.0413
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170 c2-no 345.6 1.4457 SOURCE4 7 0.0087
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171 c2-o 623.6 1.2244 SOURCE4 15 0.0036
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172 c2-oh 425.4 1.3330 SOURCE1 53 0.0000
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173 c2-os 392.6 1.3570 SOURCE1 315 0.0097
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174 c2-p2 375.9 1.6700 SOURCE3 62 0.0147
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175 c2-p3 246.6 1.8340 SOURCE3 5 0.0042
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176 c2-p4 254.0 1.8220 SOUECE3 1
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177 c2-p5 228.2 1.8658 SOURCE4 5 0.0025
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178 c2-pe 355.3 1.6910 SOURCE3 52 0.0542
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parents:
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marcel
parents:
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
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parents:
diff changeset
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parents:
diff changeset
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
diff changeset
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diff changeset
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marcel
parents:
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marcel
parents:
diff changeset
380 cf-nf 381.8 1.4140 SOURCE3 7 same_as_ce-ne
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marcel
parents:
diff changeset
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parents:
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parents:
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marcel
parents:
diff changeset
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marcel
parents:
diff changeset
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marcel
parents:
diff changeset
386 cf-px 254.6 1.8210 SOURCE3 6 same_as_ce-px
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marcel
parents:
diff changeset
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parents:
diff changeset
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parents:
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parents:
diff changeset
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parents:
diff changeset
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
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parents:
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parents:
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parents:
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parents:
diff changeset
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parents:
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parents:
diff changeset
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diff changeset
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parents:
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parents:
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parents:
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parents:
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708 nh-s4 259.1 1.7490 SOURCE3 3 0.0203
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
709 nh-s6 297.2 1.6965 SOURCE4 33 0.0062
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
710 nh-sh 288.3 1.7080 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
711 nh-ss 288.3 1.7080 SOURCE1 52 0.0015
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
712 nh-sy 283.5 1.7144 SOURCE4 80 0.0066
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
713 n -n1 553.9 1.3400 SOUECE3 1
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marcel
parents:
diff changeset
714 n -n2 499.7 1.3710 SOURCE3 9 0.0200
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
715 n -n3 443.3 1.4080 SOURCE3 5 0.0087
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
716 n -n4 410.8 1.4320 SOURCE3 5 0.0098
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
717 n -n 469.7 1.3900 SOURCE3 5 0.0038
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
718 n -na 486.8 1.3790 SOURCE3 11 0.0071
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
719 n -nc 524.9 1.3561 SOURCE4 63 0.0104
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
720 n -nd 517.7 1.3603 SOURCE4 13 0.0122
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
721 n -nh 451.2 1.4025 SOURCE4 20 0.0074
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
722 n -no 381.2 1.4560 SOURCE3 4 0.0327
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
723 n -o 646.6 1.2640 SOURCE3 9 0.0381
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
724 n -oh 395.4 1.4100 SOURCE3 6 0.0106
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
725 no-no 138.3 1.8240 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
726 no-o 761.2 1.2190 SOURCE1 1838 0.0049
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
727 no-oh 400.5 1.4060 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
728 no-os 379.5 1.4229 SOURCE4 53 0.0076
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
729 no-os 379.5 1.4229 SOURCE4 53 0.0076
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
730 no-p2 306.3 1.7380 SOURCE3 10 0.2231
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
731 no-p3 234.7 1.8440 SOURCE3 3 0.0005
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
732 no-p4 220.4 1.8700 SOURCE3 3 0.0006
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
733 no-p5 240.5 1.8340 SOURCE3 4 0.0020
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
734 no-s 263.8 1.7420 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
735 n -os 395.0 1.4103 SOURCE4 30 0.0112
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
736 no-s4 143.0 1.9960 SOURCE3 3 0.0313
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
737 no-s6 149.6 1.9760 SOURCE3 3 0.0520
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
738 no-sh 225.4 1.8040 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
739 no-ss 212.4 1.8280 SOURCE3 3 0.0244
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
740 n -p2 310.3 1.7330 SOURCE3 8 0.0217
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
741 n -p3 282.2 1.7700 SOURCE3 9 0.0118
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
742 n -p4 309.5 1.7340 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
743 n -p5 331.3 1.7080 SOURCE4 6 0.0022
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
744 n -pc 304.8 1.7400 SOURCE3 3 0.0010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
745 n -pd 304.8 1.7400 SOURCE3 3 same_as_n-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
746 n -s 247.5 1.7670 SOURCE3 3 0.0011
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
747 n -s4 238.2 1.7820 SOURCE3 4 0.0214
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
748 n -s6 283.0 1.7151 SOURCE4 13 0.0138
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
749 n -sh 273.6 1.7280 SOURCE3 4 0.0128
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
750 n -ss 281.6 1.7170 SOURCE3 7 0.0133
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
751 n -sy 282.9 1.7152 SOURCE4 51 0.0079
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
752 oh-oh 340.5 1.4690 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
753 oh-os 355.8 1.4547 SOURCE4 19 0.0050
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
754 oh-p2 316.8 1.6300 SOURCE3 8 0.0916
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
755 oh-p3 278.8 1.6770 SOURCE3 3 0.0148
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
756 oh-p4 307.4 1.6410 SOURCE3 4 0.0092
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
757 oh-p5 321.2 1.6250 SOURCE3 92 0.0451
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
758 oh-py 332.1 1.6130 SOURCE3 79 0.0138
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
759 oh-s 190.0 1.8120 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
760 oh-s4 256.3 1.6954 SOURCE4 10 0.0091
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
761 oh-s6 344.1 1.5880 SOURCE3 13 0.0091
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
762 oh-sh 258.6 1.6920 SOURCE3 2 0.0003
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
763 oh-ss 265.6 1.6820 SOURCE3 4 0.0131
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
764 oh-sy 290.4 1.6490 SOURCE4 33 0.0044
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
765 o -o 384.3 1.4300 SOURCE3 2 0.0500
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
766 o -oh 294.6 1.5170 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
767 o -os 306.3 1.5040 SOURCE3 3 0.0117
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
768 o -p2 449.7 1.5080 SOURCE3 17 0.0306
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
769 o -p3 440.4 1.5150 SOURCE3 35 0.0297
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
770 o -p4 456.4 1.5030 SOURCE3 42 0.0749
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
771 o -p5 487.7 1.4810 SOURCE1 263 0.0205
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
772 o -pe 432.6 1.5210 SOURCE3 20 0.0171
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
773 o -pf 432.6 1.5210 SOURCE3 20 same_as_o-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
774 o -px 459.2 1.5010 SOURCE3 37 0.0160
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
775 o -py 477.5 1.4880 SOURCE3 63 0.0091
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
776 o -s 194.8 1.8020 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
777 o -s2 333.6 1.5990 SOURCE3 3 0.0707
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
778 o -s4 448.7 1.4970 SOURCE1 90 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
779 o -s6 541.1 1.4360 SOURCE1 1038 0.0128
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
780 o -sh 328.0 1.6050 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
781 os-os 343.6 1.4660 SOURCE1 20 0.0067
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
782 os-p2 371.9 1.5730 SOURCE1 16 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
783 os-p3 272.2 1.6860 SOURCE3 6 0.0201
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
784 os-p4 311.6 1.6360 SOURCE3 4 0.0057
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
785 os-p5 342.5 1.6020 SOURCE1 248 0.0400
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
786 os-py 328.5 1.6170 SOURCE3 17 0.0139
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
787 os-s 195.8 1.8000 SOURCE3 3 0.0052
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
788 o -ss 398.5 1.5370 SOURCE3 3 0.0501
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
789 os-s4 253.9 1.6990 SOURCE3 8 0.0223
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
790 os-s6 355.0 1.5770 SOURCE1 75 0.0030
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
791 os-sh 273.6 1.6710 SOURCE3 3 0.0106
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
792 os-ss 250.5 1.7040 SOURCE3 9 0.0277
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
793 os-sy 253.9 1.6990 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
794 o -sx 434.2 1.5080 SOURCE3 40 0.0130
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
795 o -sy 493.0 1.4660 SOURCE3 92 0.0114
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
796 p2-p2 490.3 1.7860 SOURCE3 25 0.3488
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
797 p2-p3 211.9 2.1520 SOURCE3 9 0.1777
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
798 p2-p4 200.4 2.1790 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
799 p2-p5 199.9 2.1800 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
800 p2-pe 401.6 1.8670 SOURCE3 16 0.3571
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
801 p2-pf 401.6 1.8670 SOURCE3 16 same_as_p2-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
802 p2-s 361.6 1.7720 SOURCE3 26 0.3014
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
803 p2-s4 139.4 2.1900 SOUECE3 1
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marcel
parents:
diff changeset
804 p2-s6 142.3 2.1800 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
805 p2-sh 224.0 1.9710 SOURCE3 10 0.2829
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
806 p2-ss 226.6 1.9660 SOURCE3 10 0.2739
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
807 p3-p3 186.5 2.2140 SOURCE1 41 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
808 p3-p4 185.7 2.2160 SOURCE3 3 0.0011
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
809 p3-p5 186.9 2.2130 SOURCE3 9 0.0265
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
810 p3-s 179.7 2.0700 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
812 p3-s6 176.9 2.0770 SOURCE3 11 0.1420
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
813 p3-sh 157.3 2.1320 SOURCE3 3 0.0078
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
814 p3-ss 161.0 2.1210 SOURCE3 3 0.0059
dbb480e39d95 Uploaded
marcel
parents:
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815 p4-p4 273.1 2.0340 SOURCE1 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
816 p4-p5 178.0 2.2370 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
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817 p4-s 152.7 2.1460 SOURCE3 5 0.0601
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
818 p4-s4 123.2 2.2510 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
819 p4-s6 118.9 2.2690 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
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820 p4-sh 163.1 2.1150 SOURCE3 4 0.0008
dbb480e39d95 Uploaded
marcel
parents:
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821 p4-ss 167.0 2.1040 SOURCE3 4 0.0044
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
822 p5-p5 261.4 2.0540 SOURCE1 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
823 p5-s 250.8 1.9220 SOURCE1 89 0.0140
dbb480e39d95 Uploaded
marcel
parents:
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824 p5-s4 191.9 2.0400 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
825 p5-s6 191.9 2.0400 SOUECE3 1
dbb480e39d95 Uploaded
marcel
parents:
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826 p5-sh 175.0 2.0820 SOURCE3 3 0.0035
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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829 pe-pf 260.8 2.0550 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
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830 pe-px 291.4 2.0050 SOURCE3 12 0.2609
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marcel
parents:
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dbb480e39d95 Uploaded
marcel
parents:
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832 pe-s 374.7 1.7580 SOURCE3 31 0.3197
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
833 pe-sx 145.9 2.1680 SOURCE3 9 0.1743
dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
835 pf-pf 240.7 2.0920 SOURCE3 7 same_as_pe-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
837 pf-py 278.6 2.0250 SOURCE3 12 same_as_pe-py
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
838 pf-s 374.7 1.7580 SOURCE3 31 same_as_pe-s
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marcel
parents:
diff changeset
839 pf-sx 145.9 2.1680 SOURCE3 9 same_as_pe-sx
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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marcel
parents:
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marcel
parents:
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843 px-sy 123.7 2.2490 SOURCE3 3 0.0272
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marcel
parents:
diff changeset
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marcel
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diff changeset
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marcel
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marcel
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marcel
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parents:
diff changeset
866
dbb480e39d95 Uploaded
marcel
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marcel
parents:
diff changeset
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marcel
parents:
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
885 c1-c1-na 61.230 176.750 SOURCE3 8 2.9328
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
886 c1-c1-nh 61.440 179.270 SOURCE3 3 0.2357
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
887 c1-c1-no 59.380 180.000 SOURCE3 3 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
888 c1-c1-o 66.790 180.000 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
889 c1-c1-oh 62.700 176.650 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
891 c1-c1-p2 51.510 180.000 SOURCE3 1
dbb480e39d95 Uploaded
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parents:
diff changeset
892 c1-c1-p3 52.470 169.630 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
893 c1-c1-p4 50.940 180.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
894 c1-c1-p5 52.560 176.170 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
896 c1-c1-s6 68.020 174.380 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
897 c1-c1-s 70.430 179.970 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
898 c1-c1-sh 68.520 180.000 SOURCE3 1
dbb480e39d95 Uploaded
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parents:
diff changeset
899 c1-c1-ss 69.890 173.220 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
900 c2-c1-c2 58.200 180.000 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
901 c2-c1-ce 58.180 179.010 SOURCE4 6 0.4656
dbb480e39d95 Uploaded
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parents:
diff changeset
902 c2-c1-n1 63.140 180.000 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
diff changeset
903 c2-c1-o 63.070 179.500 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
905 c3-c1-c3 51.750 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
906 c3-c1-cg 55.790 178.520 SOURCE4 39 0.5063
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
907 c3-c1-n1 58.100 178.500 SOURCE4 77 0.5443
dbb480e39d95 Uploaded
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parents:
diff changeset
908 ca-c1-ca 52.830 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
909 c -c1-c1 56.330 180.000 SOURCE3 1
dbb480e39d95 Uploaded
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parents:
diff changeset
910 cg-c1-ha 43.980 177.410 SOURCE3 22 2.4947
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
911 ch-c1-ha 43.980 177.410 SOURCE3 22 same_as_cg-c1-ha
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
912 cl-c1-cl 53.920 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
915 n1-c1-n1 93.200 102.010 SOURCE3 1
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
917 n1-c1-nh 64.020 177.430 SOURCE4 7 0.7877
dbb480e39d95 Uploaded
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parents:
diff changeset
918 n1-c1-os 64.720 178.590 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
920 n1-c1-ss 70.640 178.680 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
921 n2-c1-n2 65.990 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
922 n2-c1-o 69.150 171.790 SOURCE3 2 0.3594
dbb480e39d95 Uploaded
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parents:
diff changeset
923 n2-c1-s 72.750 176.010 SOURCE4 9 0.1123
dbb480e39d95 Uploaded
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parents:
diff changeset
924 n3-c1-n3 57.360 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
928 ne-c1-s 72.880 175.810 SOURCE4 8 0.2356
dbb480e39d95 Uploaded
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parents:
diff changeset
929 nf-c1-o 69.390 172.330 SOURCE3 1 same_as_ne-c1-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
930 nh-c1-nh 59.550 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
932 no-c1-no 56.830 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
940 s2-c1-s2 89.430 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
945 ss-c1-ss 84.960 180.000 Guess 0
dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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949 br-c2-ce 63.210 121.590 SOURCE4 7 0.7078
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
950 br-c2-h4 43.040 113.940 SOURCE4 6 0.4017
dbb480e39d95 Uploaded
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parents:
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951 br-c2-ha 43.180 113.280 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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diff changeset
952 c1-c2-c1 72.260 116.770 SOURCE3 1
dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
954 c1-c2-c3 64.220 124.920 SOURCE4 17 0.7576
dbb480e39d95 Uploaded
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parents:
diff changeset
955 c1-c2-f 67.990 124.900 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
956 c1-c2-ha 50.430 121.370 SOURCE3 8 0.0055
dbb480e39d95 Uploaded
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parents:
diff changeset
957 c2-c2-c2 69.840 121.810 SOURCE3 10 0.3843
dbb480e39d95 Uploaded
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parents:
diff changeset
958 c2-c2-c3 64.330 123.420 SOURCE3 41 2.6057
dbb480e39d95 Uploaded
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parents:
diff changeset
959 c2-c2-ca 66.880 117.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
960 c2-c2-cc 70.220 117.210 SOURCE3 2 0.3418
dbb480e39d95 Uploaded
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parents:
diff changeset
961 c2-c2-cd 70.220 117.210 SOURCE3 2 same_as_c2-c2-cc
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
963 c2-c2-cx 64.500 125.400 SOURCE4 12 1.8494
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
964 c2-c2-cy 70.420 103.300 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
965 c2-c2-f 68.110 122.920 SOURCE4 12 0.5301
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
966 c2-c2-h4 49.750 122.540 SOURCE4 69 1.1900
dbb480e39d95 Uploaded
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parents:
diff changeset
967 c2-c2-ha 50.040 120.940 SOURCE3 254 1.3150
dbb480e39d95 Uploaded
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parents:
diff changeset
968 c2-c2-hc 50.300 119.700 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
969 c2-c2-hx 48.980 126.450 SOURCE3 3 0.0219
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
970 c2-c2-i 56.280 121.030 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
971 c2-c2-n1 71.690 122.980 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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973 c2-c2-n3 70.330 124.550 SOURCE3 1
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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977 c2-c2-nh 69.800 124.990 SOURCE3 7 0.9929
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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980 c2-c2-oh 71.640 122.070 SOURCE4 6 1.0883
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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parents:
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dbb480e39d95 Uploaded
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parents:
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990 c2-c2-ss 79.470 122.860 SOURCE4 13 1.7467
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dbb480e39d95 Uploaded
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parents:
diff changeset
993 c3-c2-cd 63.160 125.640 SOURCE3 1 same_as_c3-c2-cc
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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1030 cf-c2-ha 49.570 121.190 SOURCE3 122 same_as_ce-c2-ha
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dbb480e39d95 Uploaded
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diff changeset
1049 h5-c2-ne 52.760 119.620 SOURCE4 17 1.3235
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1051 ha-c2-ha 38.020 117.650 SOURCE3 349 1.3426
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marcel
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diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1219 ca-c3-cx 63.690 112.100 SOURCE4 5 2.1117
dbb480e39d95 Uploaded
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parents:
diff changeset
1220 ca-c3-f 66.140 111.760 SOURCE4 449 0.3492
dbb480e39d95 Uploaded
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parents:
diff changeset
1221 ca-c3-h1 46.780 110.950 SOURCE3 12 1.1170
dbb480e39d95 Uploaded
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parents:
diff changeset
1222 ca-c3-h2 47.030 109.660 SOURCE4 29 1.2184
dbb480e39d95 Uploaded
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parents:
diff changeset
1223 ca-c3-hc 46.960 110.150 SOURCE3 47 1.2602
dbb480e39d95 Uploaded
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parents:
diff changeset
1224 ca-c3-hx 46.690 111.440 SOURCE4 33 0.4691
dbb480e39d95 Uploaded
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parents:
diff changeset
1225 ca-c3-n2 65.920 112.490 SOURCE4 22 1.1043
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1227 ca-c3-n4 64.870 114.540 SOURCE4 22 2.3986
dbb480e39d95 Uploaded
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parents:
diff changeset
1228 ca-c3-n 66.290 112.430 SOURCE4 201 1.5133
dbb480e39d95 Uploaded
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parents:
diff changeset
1229 ca-c3-na 66.270 112.810 SOURCE4 104 1.5807
dbb480e39d95 Uploaded
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parents:
diff changeset
1230 ca-c3-nc 68.200 106.510 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
1231 ca-c3-nd 68.200 106.510 SOURCE3 1 same_as_ca-c3-nc
dbb480e39d95 Uploaded
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parents:
diff changeset
1232 ca-c3-nh 66.640 111.410 SOURCE4 147 1.0074
dbb480e39d95 Uploaded
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parents:
diff changeset
1233 ca-c3-oh 67.940 110.550 SOURCE4 348 1.2310
dbb480e39d95 Uploaded
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parents:
diff changeset
1234 ca-c3-os 68.190 108.890 SOURCE4 411 1.0102
dbb480e39d95 Uploaded
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parents:
diff changeset
1235 ca-c3-p5 61.350 113.410 SOURCE4 19 1.4444
dbb480e39d95 Uploaded
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parents:
diff changeset
1236 ca-c3-s6 79.570 111.360 SOURCE4 15 1.4775
dbb480e39d95 Uploaded
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parents:
diff changeset
1237 ca-c3-ss 78.350 110.660 SOURCE4 78 1.4797
dbb480e39d95 Uploaded
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parents:
diff changeset
1238 ca-c3-sx 78.680 110.800 SOURCE4 16 0.5396
dbb480e39d95 Uploaded
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parents:
diff changeset
1239 c -c3-c1 64.560 112.640 SOURCE4 11 1.0678
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1241 c -c3-c3 63.790 110.530 SOURCE3 62 1.9636
dbb480e39d95 Uploaded
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parents:
diff changeset
1242 c -c3-c 64.060 111.610 SOURCE4 151 2.1872
dbb480e39d95 Uploaded
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parents:
diff changeset
1243 c -c3-ca 64.130 110.990 SOURCE4 481 1.7257
dbb480e39d95 Uploaded
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parents:
diff changeset
1244 c -c3-cc 63.940 112.690 SOURCE4 61 1.4162
dbb480e39d95 Uploaded
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parents:
diff changeset
1245 cc-c3-cc 63.640 114.440 SOURCE4 9 0.7894
dbb480e39d95 Uploaded
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parents:
diff changeset
1246 cc-c3-cd 67.300 102.350 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
1247 cc-c3-cx 63.850 112.550 SOURCE4 5 1.4317
dbb480e39d95 Uploaded
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parents:
diff changeset
1248 c -c3-cd 63.810 113.170 SOURCE4 43 1.3583
dbb480e39d95 Uploaded
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parents:
diff changeset
1249 c -c3-ce 64.020 111.980 SOURCE4 16 2.1388
dbb480e39d95 Uploaded
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parents:
diff changeset
1250 cc-c3-f 66.730 111.130 SOURCE4 60 0.4791
dbb480e39d95 Uploaded
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parents:
diff changeset
1251 cc-c3-h1 47.030 111.620 SOURCE3 20 1.0215
dbb480e39d95 Uploaded
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parents:
diff changeset
1252 cc-c3-hc 47.200 110.860 SOURCE3 85 1.0276
dbb480e39d95 Uploaded
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parents:
diff changeset
1253 cc-c3-hx 47.170 111.020 SOURCE4 9 0.7503
dbb480e39d95 Uploaded
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parents:
diff changeset
1254 c -c3-cl 62.300 111.160 SOURCE4 41 1.2257
dbb480e39d95 Uploaded
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parents:
diff changeset
1255 cc-c3-n2 66.850 110.470 SOURCE4 11 0.5153
dbb480e39d95 Uploaded
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parents:
diff changeset
1256 cc-c3-n3 66.670 111.570 SOURCE4 66 1.2287
dbb480e39d95 Uploaded
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parents:
diff changeset
1257 cc-c3-n4 64.880 115.580 SOURCE4 6 1.1723
dbb480e39d95 Uploaded
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parents:
diff changeset
1258 cc-c3-n 66.740 112.050 SOURCE4 23 1.5593
dbb480e39d95 Uploaded
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parents:
diff changeset
1259 cc-c3-na 66.430 113.390 SOURCE4 8 0.8010
dbb480e39d95 Uploaded
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parents:
diff changeset
1260 cc-c3-nc 68.370 107.040 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
1261 cc-c3-nh 66.500 113.020 SOURCE4 14 1.6083
dbb480e39d95 Uploaded
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parents:
diff changeset
1262 cc-c3-oh 68.010 111.510 SOURCE4 61 1.4663
dbb480e39d95 Uploaded
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parents:
diff changeset
1263 cc-c3-os 68.570 108.820 SOURCE4 84 1.2451
dbb480e39d95 Uploaded
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parents:
diff changeset
1264 cc-c3-p5 60.750 116.230 SOURCE4 6 0.7766
dbb480e39d95 Uploaded
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parents:
diff changeset
1265 cc-c3-sh 77.340 114.020 SOURCE3 1 same_as_cd-c3-sh
dbb480e39d95 Uploaded
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parents:
diff changeset
1266 cc-c3-ss 78.390 111.090 SOURCE4 35 0.8623
dbb480e39d95 Uploaded
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parents:
diff changeset
1267 c -c3-cx 64.080 111.090 SOURCE4 9 1.2357
dbb480e39d95 Uploaded
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parents:
diff changeset
1268 cd-c3-cd 65.520 107.990 SOURCE3 10 5.1937
dbb480e39d95 Uploaded
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parents:
diff changeset
1269 cd-c3-f 66.530 111.800 SOURCE4 9 0.4528
dbb480e39d95 Uploaded
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parents:
diff changeset
1270 cd-c3-h1 47.030 111.620 SOURCE3 20 1.0215
dbb480e39d95 Uploaded
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parents:
diff changeset
1271 cd-c3-hc 47.200 110.860 SOURCE3 85 1.0276
dbb480e39d95 Uploaded
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parents:
diff changeset
1272 cd-c3-n3 66.960 110.590 SOURCE4 45 1.4707
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1274 cd-c3-nd 68.370 107.040 SOURCE3 2 same_as_cc-c3-nc
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1276 cd-c3-oh 68.280 110.640 SOURCE4 55 1.5008
dbb480e39d95 Uploaded
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parents:
diff changeset
1277 cd-c3-os 67.810 111.280 SOURCE3 7 same_as_cc-c3-os
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1279 cd-c3-ss 78.450 110.910 SOURCE4 8 0.8705
dbb480e39d95 Uploaded
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parents:
diff changeset
1280 ce-c3-ce 64.240 111.440 SOURCE4 18 0.3695
dbb480e39d95 Uploaded
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parents:
diff changeset
1281 ce-c3-cy 66.340 102.820 SOURCE4 6 0.1191
dbb480e39d95 Uploaded
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parents:
diff changeset
1282 ce-c3-h1 47.280 109.650 SOURCE4 98 0.9337
dbb480e39d95 Uploaded
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parents:
diff changeset
1283 ce-c3-hc 47.000 110.980 SOURCE3 27 0.1559
dbb480e39d95 Uploaded
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parents:
diff changeset
1284 ce-c3-n3 66.430 111.900 SOURCE4 20 0.5035
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1287 ce-c3-os 68.640 108.100 SOURCE4 16 1.9583
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1289 c -c3-f 66.820 109.980 SOURCE4 38 0.9895
dbb480e39d95 Uploaded
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parents:
diff changeset
1290 cf-c3-cy 66.330 102.850 SOURCE4 49 0.2818
dbb480e39d95 Uploaded
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parents:
diff changeset
1291 cf-c3-h1 47.350 109.340 SOURCE4 21 0.7788
dbb480e39d95 Uploaded
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parents:
diff changeset
1292 cf-c3-hc 47.000 110.980 SOURCE3 27 same_as_ce-c3-hc
dbb480e39d95 Uploaded
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parents:
diff changeset
1293 cf-c3-n3 66.510 111.640 SOURCE4 8 1.1575
dbb480e39d95 Uploaded
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parents:
diff changeset
1294 c -c3-h1 47.630 107.660 SOURCE3 66 1.4015
dbb480e39d95 Uploaded
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parents:
diff changeset
1295 c -c3-h2 47.160 109.690 SOURCE4 38 1.0614
dbb480e39d95 Uploaded
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parents:
diff changeset
1296 c -c3-hc 47.200 109.680 SOURCE3 614 0.6426
dbb480e39d95 Uploaded
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parents:
diff changeset
1297 c -c3-hx 47.230 109.540 SOURCE4 47 0.6627
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1299 cl-c3-f 63.600 109.020 SOURCE4 15 0.3609
dbb480e39d95 Uploaded
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parents:
diff changeset
1300 cl-c3-h1 43.710 105.930 SOURCE3 19 1.1883
dbb480e39d95 Uploaded
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parents:
diff changeset
1301 cl-c3-h2 43.490 107.140 SOURCE4 50 0.5973
dbb480e39d95 Uploaded
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parents:
diff changeset
1302 cl-c3-hc 43.360 107.650 SOURCE2 2 2.2500
dbb480e39d95 Uploaded
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parents:
diff changeset
1303 cl-c3-os 64.920 111.400 SOURCE4 8 0.8275
dbb480e39d95 Uploaded
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parents:
diff changeset
1304 cl-c3-ss 78.390 112.940 SOURCE4 10 1.4625
dbb480e39d95 Uploaded
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parents:
diff changeset
1305 c -c3-n2 66.920 109.550 SOURCE4 55 1.4579
dbb480e39d95 Uploaded
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parents:
diff changeset
1306 c -c3-n3 66.590 111.140 SOURCE4 629 1.6673
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1311 c -c3-oh 68.650 108.700 SOURCE4 299 1.3415
dbb480e39d95 Uploaded
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parents:
diff changeset
1312 c -c3-os 68.030 109.820 SOURCE3 10 2.0612
dbb480e39d95 Uploaded
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parents:
diff changeset
1313 c -c3-p5 62.230 110.410 SOURCE4 15 2.2683
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1315 c -c3-sh 79.050 108.820 SOURCE4 12 0.8354
dbb480e39d95 Uploaded
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parents:
diff changeset
1316 c -c3-ss 78.090 111.580 SOURCE3 5 1.9506
dbb480e39d95 Uploaded
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parents:
diff changeset
1317 cx-c3-cx 63.530 112.580 SOURCE4 7 1.2211
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1319 cx-c3-hc 46.920 110.200 SOURCE4 356 0.8798
dbb480e39d95 Uploaded
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parents:
diff changeset
1320 cx-c3-hx 46.380 112.810 SOURCE4 12 0.0977
dbb480e39d95 Uploaded
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parents:
diff changeset
1321 cx-c3-n3 65.830 113.220 SOURCE4 33 1.3978
dbb480e39d95 Uploaded
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parents:
diff changeset
1322 cx-c3-n4 68.880 101.510 SOURCE4 12 0.0760
dbb480e39d95 Uploaded
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parents:
diff changeset
1323 cx-c3-n 66.220 112.590 SOURCE4 22 0.8034
dbb480e39d95 Uploaded
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parents:
diff changeset
1324 cx-c3-oh 68.100 109.970 SOURCE4 25 1.3176
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1326 cy-c3-h1 47.000 107.880 SOURCE4 162 0.9624
dbb480e39d95 Uploaded
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parents:
diff changeset
1327 cy-c3-hc 46.510 110.170 SOURCE3 16 0.5693
dbb480e39d95 Uploaded
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parents:
diff changeset
1328 cy-c3-n3 65.630 112.720 SOURCE4 7 1.0639
dbb480e39d95 Uploaded
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parents:
diff changeset
1329 cy-c3-oh 67.220 111.560 SOURCE4 138 0.5051
dbb480e39d95 Uploaded
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parents:
diff changeset
1330 cy-c3-os 68.450 106.790 SOURCE4 5 1.0955
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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1334 f -c3-h3 51.050 110.010 SOURCE4 19 0.6811
dbb480e39d95 Uploaded
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parents:
diff changeset
1335 f -c3-hc 51.330 108.920 SOURCE2 5 3.0534
dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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1337 f -c3-os 70.660 110.610 SOURCE4 45 1.1755
dbb480e39d95 Uploaded
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parents:
diff changeset
1338 f -c3-p5 63.700 107.250 SOURCE4 11 1.1735
dbb480e39d95 Uploaded
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parents:
diff changeset
1339 f -c3-s6 81.220 109.670 SOURCE4 24 0.4116
dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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1344 h1-c3-n3 49.390 109.920 SOURCE3 313 1.1810
dbb480e39d95 Uploaded
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1345 h1-c3-n 49.820 109.320 SOURCE3 91 1.0325
dbb480e39d95 Uploaded
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1346 h1-c3-na 49.900 109.450 SOURCE3 53 0.9555
dbb480e39d95 Uploaded
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parents:
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1347 h1-c3-nc 50.110 108.570 SOURCE3 6 0.0764
dbb480e39d95 Uploaded
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parents:
diff changeset
1348 h1-c3-nd 50.110 108.570 SOURCE3 6 same_as_h1-c3-nc
dbb480e39d95 Uploaded
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1349 h1-c3-nh 49.730 109.960 SOURCE3 70 0.7000
dbb480e39d95 Uploaded
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parents:
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1350 h1-c3-no 48.660 105.150 SOURCE4 16 0.4950
dbb480e39d95 Uploaded
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parents:
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1351 h1-c3-o 52.530 117.190 SOURCE3 6 0.0003
dbb480e39d95 Uploaded
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parents:
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1352 h1-c3-oh 50.970 109.880 SOURCE3 63 1.3172
dbb480e39d95 Uploaded
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parents:
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1353 h1-c3-os 50.840 108.820 SOURCE3 541 0.8042
dbb480e39d95 Uploaded
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parents:
diff changeset
1354 h1-c3-p5 42.870 107.990 SOURCE4 72 1.1862
dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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1356 h1-c3-s 52.120 112.600 SOURCE3 6 0.0026
dbb480e39d95 Uploaded
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parents:
diff changeset
1357 h1-c3-s6 55.510 108.110 SOURCE3 160 0.5518
dbb480e39d95 Uploaded
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parents:
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1358 h1-c3-sh 53.660 109.210 SOURCE3 22 1.2028
dbb480e39d95 Uploaded
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parents:
diff changeset
1359 h1-c3-ss 53.660 109.340 SOURCE3 356 0.6573
dbb480e39d95 Uploaded
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parents:
diff changeset
1360 h1-c3-sx 54.210 108.690 SOURCE3 90 0.2749
dbb480e39d95 Uploaded
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parents:
diff changeset
1361 h1-c3-sy 55.250 108.090 SOURCE3 93 0.2556
dbb480e39d95 Uploaded
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diff changeset
1362 h2-c3-h2 39.000 109.190 SOURCE3 29 3.1352
dbb480e39d95 Uploaded
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diff changeset
1363 h2-c3-i 38.690 104.990 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
1364 h2-c3-n2 49.080 110.220 SOURCE3 6 0.2133
dbb480e39d95 Uploaded
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diff changeset
1365 h2-c3-n3 49.370 109.800 SOURCE4 189 1.2893
dbb480e39d95 Uploaded
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1366 h2-c3-n 50.220 107.380 SOURCE4 258 1.3140
dbb480e39d95 Uploaded
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parents:
diff changeset
1367 h2-c3-na 50.270 107.660 SOURCE3 6 1.4096
dbb480e39d95 Uploaded
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parents:
diff changeset
1368 h2-c3-nc 49.850 109.470 SOURCE3 10 0.3133
dbb480e39d95 Uploaded
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parents:
diff changeset
1369 h2-c3-nd 49.850 109.470 SOURCE3 10 same_as_h2-c3-nc
dbb480e39d95 Uploaded
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parents:
diff changeset
1370 h2-c3-nh 49.600 110.330 SOURCE4 102 1.0596
dbb480e39d95 Uploaded
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parents:
diff changeset
1371 h2-c3-no 47.830 108.690 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
1372 h2-c3-o 54.380 108.970 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
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1373 h2-c3-oh 51.290 108.300 SOURCE3 6 0.5715
dbb480e39d95 Uploaded
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parents:
diff changeset
1374 h2-c3-os 50.840 108.580 SOURCE3 44 1.2773
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
1376 h2-c3-s 53.560 106.750 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
1377 h2-c3-s6 55.940 106.540 SOURCE4 27 0.9934
dbb480e39d95 Uploaded
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parents:
diff changeset
1378 h2-c3-sh 54.020 107.870 SOURCE3 6 0.4376
dbb480e39d95 Uploaded
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parents:
diff changeset
1379 h2-c3-ss 53.590 109.750 SOURCE3 10 0.3442
dbb480e39d95 Uploaded
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parents:
diff changeset
1380 h3-c3-n3 49.730 108.390 SOURCE4 12 1.7932
dbb480e39d95 Uploaded
marcel
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
1887 c2-cd-os 70.530 119.310 SOURCE3 2 same_as_c2-cc-os
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1888 c3-cd-ca 64.050 117.810 SOURCE3 8 same_as_c3-cc-ca
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1889 c3-cd-cc 64.810 119.450 SOURCE3 35 8.2040
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1890 c3-cd-cd 64.660 115.970 SOURCE3 4 3.0507
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1891 c3-cd-ce 65.260 117.840 SOURCE3 1 same_as_c3-cc-cf
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1892 c3-cd-ha 45.110 121.520 SOURCE3 32 3.2091
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1893 c3-cd-n2 64.650 131.550 SOURCE3 1 same_as_c3-cc-n2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1894 c3-cd-n 65.600 121.760 SOURCE4 15 1.7884
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1895 c3-cd-na 65.670 122.140 SOURCE4 155 1.5600
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1896 c3-cd-nc 66.940 119.910 SOURCE4 200 1.6430
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1897 c3-cd-nd 65.900 120.920 SOURCE4 243 0.8832
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1898 c3-cd-os 67.630 116.540 SOURCE4 76 0.6353
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1899 c3-cd-ss 77.510 121.530 SOURCE4 26 1.4478
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1900 ca-cd-cc 68.230 113.510 SOURCE3 26 7.4229
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1901 ca-cd-cd 67.660 111.040 SOURCE3 9 7.9455
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1902 ca-cd-ce 65.000 125.100 SOURCE4 9 1.9265
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1903 ca-cd-h4 45.570 128.660 SOURCE3 10 3.1167
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1904 ca-cd-ha 46.400 124.040 SOURCE3 34 3.6691
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1905 ca-cd-n 72.510 104.870 SOURCE3 1 same_as_ca-cc-n
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1906 ca-cd-na 67.030 123.450 SOURCE4 39 1.9138
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1907 ca-cd-nc 70.230 115.050 SOURCE3 6 4.3938
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1908 ca-cd-nd 67.650 120.810 SOURCE4 116 1.2165
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1909 ca-cd-oh 69.080 119.320 SOURCE4 9 1.2731
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1910 ca-cd-os 70.040 114.450 SOURCE4 76 2.2248
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1911 ca-cd-ss 79.130 119.640 SOURCE4 15 1.8842
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1912 c -cd-c2 65.380 121.760 SOURCE3 1 same_as_c-cc-c2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1913 c -cd-c3 63.560 117.570 SOURCE4 122 1.4868
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1914 c -cd-c 63.410 121.180 SOURCE4 16 1.9017
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1915 c -cd-ca 63.550 122.950 SOURCE3 1 same_as_c-cc-ca
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1916 c -cd-cc 65.280 121.320 SOURCE4 789 2.4126
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1917 cc-cd-cc 68.010 119.800 SOURCE4 91 1.1370
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1918 cc-cd-cd 68.160 114.190 SOURCE3 517 6.5960
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1919 cc-cd-cf 64.080 126.280 SOURCE4 71 2.2936
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1920 cc-cd-ch 64.920 126.050 SOURCE4 30 1.4695
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1921 cc-cd-cl 61.810 123.620 SOURCE4 14 1.9282
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1922 cc-cd-cy 63.930 122.130 SOURCE4 10 0.8509
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1923 c -cd-cd 63.720 122.690 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1924 c -cd-cf 63.000 123.100 SOURCE4 5 2.3108
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1925 cc-cd-h4 47.190 129.110 SOURCE3 418 3.1355
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1926 cc-cd-ha 48.350 122.890 SOURCE3 584 2.9334
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1927 c -cd-cl 62.750 116.190 SOURCE4 5 1.0839
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1928 cc-cd-n 70.720 115.520 SOURCE3 52 1.3322
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1929 cc-cd-na 72.910 109.420 SOURCE3 265 2.6051
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1930 cc-cd-nc 69.420 123.820 SOURCE4 14 0.3678
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1931 cc-cd-nd 72.030 111.680 SOURCE4 1078 1.9168
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1932 cc-cd-nh 68.700 123.880 SOURCE4 105 2.2114
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1933 cc-cd-oh 69.540 123.710 SOURCE4 47 1.3029
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1934 cc-cd-os 69.960 120.300 SOURCE3 64 5.4354
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1935 cc-cd-ss 82.380 112.740 SOURCE4 192 2.2341
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1936 cc-cd-sy 76.890 124.690 SOURCE4 22 0.6891
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1937 cd-cd-cd 67.880 110.700 SOURCE3 54 3.4091
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1938 cd-cd-ce 65.800 122.560 SOURCE4 38 1.7758
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1939 cd-cd-cf 62.580 127.560 SOURCE4 32 2.4879
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1940 cd-cd-ch 63.320 127.380 SOURCE4 21 0.9462
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1941 cd-cd-cy 63.170 120.930 SOURCE4 6 1.2205
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1942 cd-cd-h4 45.560 129.470 SOURCE3 171 2.2734
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1943 cd-cd-ha 47.020 121.510 SOURCE4 1245 2.1421
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1944 cd-cd-n2 69.520 121.150 SOURCE3 6 0.4642
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1945 cd-cd-n 67.950 119.890 SOURCE3 36 0.2095
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1946 cd-cd-na 72.210 106.800 SOURCE3 33 same_as_cc-cc-na
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1947 cd-cd-nc 71.150 112.560 SOURCE3 141 4.2871
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1948 cd-cd-nd 67.440 122.020 SOURCE4 101 2.1232
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1949 cd-cd-nh 68.260 120.050 SOURCE4 86 1.2878
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1950 cd-cd-oh 68.090 123.300 SOURCE4 17 2.3237
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1951 cd-cd-os 69.300 117.360 SOURCE4 112 1.9292
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1952 cd-cd-pc 63.840 115.360 SOURCE3 84 3.2889
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1953 cd-cd-ss 78.930 120.470 SOURCE4 29 1.6911
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1954 ce-cd-nd 68.130 124.900 SOURCE4 5 2.3975
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1955 cf-cd-na 66.090 124.600 SOURCE4 8 1.6033
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1956 cf-cd-nc 67.940 120.490 SOURCE4 26 1.3524
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1957 cf-cd-nd 66.910 121.180 SOURCE4 29 1.3143
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1958 cf-cd-os 68.380 117.800 SOURCE4 7 1.1308
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1959 cf-cd-ss 77.470 123.670 SOURCE4 7 1.5823
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1960 c -cd-h4 46.770 118.190 SOURCE4 8 0.2226
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1961 c -cd-ha 46.990 117.020 SOURCE3 56 1.9713
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1962 cl-cd-nc 63.230 125.300 SOURCE3 1 same_as_cl-cc-nd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1963 c -cd-n2 68.580 120.890 SOURCE3 1 same_as_c-cc-n2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1964 c -cd-n 68.190 116.060 SOURCE3 1 same_as_n-cc-c
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1965 c -cd-nc 67.450 121.860 SOURCE4 46 2.4699
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1966 c -cd-nd 64.310 130.800 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1967 c -cd-oh 69.870 114.020 SOURCE4 18 0.9546
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1968 c -cd-os 68.070 118.550 SOURCE4 26 2.1350
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1969 h4-cd-n 50.390 117.620 SOURCE3 53 0.9721
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1970 h4-cd-na 50.220 119.660 SOURCE3 294 2.4702
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1971 h4-cd-nc 51.390 119.110 SOURCE3 135 1.6946
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1972 h4-cd-nd 50.000 120.030 SOURCE3 16 2.3863
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1973 h4-cd-os 52.270 111.890 SOURCE3 61 2.3500
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1974 h4-cd-ss 54.360 117.750 SOURCE3 40 3.1156
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1975 h5-cd-n 50.820 115.830 SOURCE4 10 0.2888
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1976 h5-cd-na 49.760 122.100 SOURCE3 16 1.4626
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1977 h5-cd-nc 50.130 125.380 SOURCE3 40 2.2157
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1978 h5-cd-nd 49.290 123.700 SOURCE3 6 0.3547
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1979 h5-cd-os 51.300 116.330 SOURCE3 12 3.2919
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1980 h5-cd-ss 53.390 122.000 SOURCE3 6 0.7237
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1981 ha-cd-na 49.820 121.500 SOURCE2 1 same_as_ha-cc-na
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1982 ha-cd-nc 51.410 118.880 SOURCE3 20 2.8923
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1983 ha-cd-nd 50.730 116.540 SOURCE3 5 1.4482
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1984 ha-cd-os 52.490 110.860 SOURCE3 7 1.3846
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1985 ha-cd-pc 42.350 121.760 SOURCE3 84 2.2216
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1986 ha-cd-ss 53.490 121.640 SOURCE2 5 same_as_ha-cc-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1987 na-cd-nc 74.780 112.020 SOURCE3 17 2.2434
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1988 na-cd-nd 70.890 121.040 SOURCE4 62 1.4580
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1989 na-cd-nh 72.430 116.980 SOURCE4 46 1.4937
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1990 na-cd-ss 84.890 111.460 SOURCE4 20 0.8600
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1991 nc-cd-nd 73.390 115.840 SOURCE4 213 1.4060
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1992 nc-cd-nh 72.410 120.110 SOURCE3 5 0.9313
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1993 nc-cd-oh 73.040 120.890 SOURCE4 11 1.5340
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1994 nc-cd-os 73.420 117.640 SOURCE4 100 1.8409
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1995 nc-cd-ss 84.180 114.510 SOURCE3 8 0.3449
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1996 nd-cd-nd 69.470 125.580 SOURCE4 13 0.4672
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1997 nd-cd-nh 72.140 117.470 SOURCE4 23 1.5450
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1998 nd-cd-ss 81.790 119.860 SOURCE3 2 same_as_nc-cc-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
1999 nh-cd-nh 72.930 115.960 SOURCE3 1 same_as_nh-cc-nh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2000 nh-cd-os 73.160 116.070 SOURCE4 12 0.5342
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2001 nh-cd-ss 81.480 121.220 SOURCE4 11 1.1514
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2002 n -cd-na 70.500 122.010 SOURCE4 13 1.2061
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2003 n -cd-nc 70.990 123.410 SOURCE4 88 0.9565
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2004 n -cd-nd 69.060 126.700 SOURCE4 54 0.3231
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2005 n -cd-nh 72.210 116.880 SOURCE4 47 0.3458
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2006 n -cd-ss 80.730 122.890 SOURCE4 7 1.1978
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2007 oh-cd-os 75.470 111.610 SOURCE4 6 1.1909
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2008 os-cd-ss 78.460 132.010 SOURCE3 1 same_as_os-cc-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2009 ss-cd-ss 99.630 122.300 SOURCE3 2 same_as_ss-cc-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2010 ss-cd-sy 98.720 121.620 SOURCE4 19 0.4931
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2011 c2-ce-c3 64.300 122.890 SOURCE3 7 1.0449
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2012 c2-ce-ca 65.160 123.080 SOURCE3 6 2.1589
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2013 c2-ce-cc 65.550 123.840 SOURCE4 49 2.1264
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2014 c2-ce-ce 65.730 123.080 SOURCE3 12 0.6518
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2015 c2-ce-cg 66.680 121.580 SOURCE4 18 1.3663
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2016 c2-ce-cl 62.220 119.510 SOURCE4 24 1.4963
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2017 c2-ce-h4 48.640 125.580 SOURCE4 11 0.9381
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2018 c2-ce-ha 49.560 121.100 SOURCE3 46 2.4054
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2019 c2-ce-n1 72.730 117.850 SOURCE4 7 0.3180
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2020 c2-ce-n2 70.340 128.700 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2021 c2-ce-na 69.290 119.190 SOURCE4 5 0.8452
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2022 c2-ce-ne 69.730 118.320 SOURCE3 7 1.0468
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2023 c2-ce-oh 70.180 123.780 SOURCE4 10 1.8182
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2024 c2-ce-p2 61.560 118.240 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2025 c2-ce-pe 61.300 118.760 SOURCE3 8 2.3984
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2026 c2-ce-px 60.970 119.720 SOURCE3 6 0.5213
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2027 c2-ce-py 61.150 122.130 SOURCE3 5 3.1367
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2028 c2-ce-sx 78.010 119.870 SOURCE3 5 0.8557
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2029 c2-ce-sy 78.410 120.350 SOURCE3 5 0.5401
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2030 c3-ce-ca 62.810 119.110 SOURCE4 127 1.8824
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2031 c3-ce-cc 63.490 118.180 SOURCE4 22 1.7743
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2032 c3-ce-ce 63.910 116.590 SOURCE4 175 1.6539
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2033 c3-ce-cf 64.510 122.180 SOURCE4 119 2.0632
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2034 c3-ce-cg 63.790 118.480 SOURCE4 8 1.4756
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2035 c3-ce-n2 66.940 122.640 SOURCE4 76 2.0781
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2036 c3-ce-nf 67.240 120.750 SOURCE4 6 2.1938
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2037 c3-ce-nh 65.740 119.900 SOURCE4 5 0.9634
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2038 ca-ce-ca 63.870 117.820 SOURCE4 100 0.9790
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2039 ca-ce-cc 64.120 118.640 SOURCE4 12 0.8455
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2040 ca-ce-ce 63.840 119.620 SOURCE4 14 1.9171
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2041 ca-ce-cf 64.090 127.310 SOURCE4 132 1.9691
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2042 ca-ce-cl 62.350 114.220 SOURCE4 6 1.3164
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2043 ca-ce-h4 46.710 116.860 SOURCE4 74 0.9179
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2044 ca-ce-ha 47.080 115.120 SOURCE4 210 1.0763
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2045 ca-ce-n2 68.510 120.720 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2046 ca-ce-nf 67.770 122.500 SOURCE4 11 2.3863
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2047 ca-ce-nh 67.850 115.510 SOURCE4 93 0.9284
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2048 ca-ce-oh 68.500 117.180 SOURCE4 5 0.5951
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2049 ca-ce-os 68.570 115.580 SOURCE4 8 1.0735
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2050 ca-ce-ss 77.470 117.730 SOURCE4 5 1.1596
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2051 c -ce-c2 65.820 120.420 SOURCE3 13 1.8877
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2052 c -ce-c3 63.430 116.630 SOURCE4 169 2.4309
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2053 c -ce-c 62.550 122.540 SOURCE4 22 1.3987
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2054 c -ce-ca 63.790 117.980 SOURCE4 8 1.5129
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2055 cc-ce-cd 63.280 130.360 SOURCE4 5 2.3402
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
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parents:
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
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parents:
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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2146 c -cf-c 63.510 118.850 SOURCE3 1 same_as_c-ce-c
dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
2220 c1-ch-pf 56.730 173.290 SOURCE3 11 same_as_c1-cg-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2221 ca-ch-cg 56.900 179.740 SOURCE4 8 0.2890
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2222 ca-ch-n1 58.830 180.000 SOURCE3 1 same_as_ca-cg-n1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2223 c -ch-c1 56.190 179.140 SOURCE3 2 same_as_c-cg-c1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2224 cd-ch-n1 59.410 178.620 SOURCE4 26 0.2919
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2225 cf-ch-cg 57.400 177.900 SOURCE4 8 0.4883
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2226 cf-ch-n1 59.370 178.120 SOURCE4 22 1.5200
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2227 cg-ch-ch 58.680 179.670 SOURCE4 7 0.1439
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2228 n1-ch-nf 64.660 176.170 SOURCE2 3 same_as_n1-cg-ne
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2229 i -c -i 59.790 116.450 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2230 i -c -o 55.510 122.020 SOURCE3 4 1.2961
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2231 f -cl-f 50.000 87.500 SOURCE2 1 estimated_force_constant
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2232 n2-c -n2 71.830 110.310 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2233 n2-c -o 73.020 122.500 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2234 n4-c -n4 64.710 114.640 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2235 n4-c -o 69.580 118.830 SOURCE3 4 3.8516
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2236 nc-c -o 74.050 123.980 SOURCE4 66 0.9502
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2237 nd-c -o 73.720 121.760 SOURCE4 55 1.1138
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2238 ne-c -ne 73.220 110.310 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2239 ne-c -o 72.940 126.030 SOURCE4 39 0.9885
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2240 nf-c -nf 73.070 110.310 SOURCE3 1 same_as_ne-c-ne
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2241 nf-c -o 73.320 124.390 SOURCE3 3 same_as_ne-c-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2242 n -c -n 74.800 113.380 SOURCE4 635 1.4358
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2243 n -c -nc 72.690 117.050 SOURCE4 54 0.7020
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2244 n -c -nd 71.900 117.060 SOURCE4 23 0.9856
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2245 n -c -ne 74.440 110.370 SOURCE4 10 1.7492
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2246 n -c -o 75.830 122.030 SOURCE3 221 2.3565
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2247 n -c -oh 76.220 113.630 SOURCE4 5 1.1209
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2248 no-c -no 66.540 109.280 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2249 no-c -o 67.950 125.360 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2250 n -c -os 76.680 109.280 SOURCE4 318 0.8749
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2251 n -c -s 83.180 123.880 SOURCE3 5 1.2935
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2252 n -c -sh 83.030 112.610 SOURCE4 8 1.2601
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2253 n -c -ss 84.610 110.420 SOURCE4 59 1.5507
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2254 oh-c -oh 78.910 110.560 SOURCE3 2 0.5498
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2255 oh-c -s 84.340 123.440 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2256 o -c -o 78.170 130.380 SOURCE4 429 1.0315
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2257 o -c -oh 77.380 122.880 SOURCE3 33 2.1896
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2258 o -c -os 75.930 123.330 SOURCE4 1708 1.0632
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2259 o -c -p2 59.770 123.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2260 o -c -p3 60.900 120.790 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2261 o -c -p5 60.850 121.200 SOURCE4 8 1.2117
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2262 o -c -pe 59.440 123.020 SOURCE3 3 0.1404
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2263 o -c -pf 59.440 123.020 SOURCE3 3 same_as_o-c-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2264 o -c -px 60.640 119.100 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2265 o -c -py 61.200 121.710 SOURCE4 5 0.3133
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2266 o -c -s4 77.510 121.150 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2267 o -c -s6 78.060 119.450 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2268 o -c -s 86.330 120.440 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2269 o -c -sh 81.240 121.410 SOURCE3 4 1.4052
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2270 os-c -os 76.450 111.380 SOURCE4 12 0.8309
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2271 o -c -ss 81.780 122.290 SOURCE3 7 1.9240
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2272 os-c -s 83.310 125.030 SOURCE4 18 0.9978
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2273 os-c -ss 83.910 113.630 SOURCE4 5 0.7367
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2274 o -c -sx 76.880 121.150 SOURCE3 5 3.6452
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2275 o -c -sy 78.310 119.320 SOURCE3 5 2.4495
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2276 p2-c -p2 58.960 113.750 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2277 p3-c -p3 58.400 118.040 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2278 p3-c -py 67.140 90.080 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2279 p5-c -p5 57.080 123.760 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2280 ca-cp-ca 67.250 118.330 SOURCE4 521 0.6228
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2281 ca-cp-cp 64.140 121.140 SOURCE4 979 1.4462
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2282 ca-cp-na 68.850 119.430 SOURCE4 21 0.6591
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2283 ca-cp-nb 69.270 121.650 SOURCE4 63 0.6564
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2284 cp-cp-cp 72.200 90.000 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2285 cp-cp-cq 62.640 124.480 SOURCE4 5 1.9038
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2286 cp-cp-nb 68.050 116.600 SOURCE4 88 1.1887
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2287 pe-c -pe 58.620 113.770 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2288 pf-c -pf 58.620 113.770 SOURCE3 1 same_as_pe-c-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2289 nb-cp-nb 71.310 125.720 SOURCE4 5 0.6674
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2290 py-c -py 57.520 123.800 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2291 ca-cq-ca 67.000 118.240 SOURCE4 5 0.2181
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2292 ca-cq-cq 64.220 120.410 SOURCE4 12 1.4029
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2293 ca-cq-nb 69.270 121.650 SOURCE4 63 same as ca-cp-nb
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2294 cp-cq-cq 62.640 124.470 SOURCE4 5 1.0864
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2295 cq-cq-cq 72.200 90.000 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2296 cq-cq-nb 68.050 116.600 SOURCE4 88 same as cp-cp-nb
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2297 s4-c -s4 98.110 108.810 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2298 s6-c -s6 95.130 115.750 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2299 sh-c -sh 100.060 115.330 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2300 s -c -s 104.130 120.400 SOURCE3 2 1.2766
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2301 s -c -sh 99.770 122.760 SOURCE4 11 1.5734
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2302 s -c -ss 99.130 125.900 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2303 ss-c -ss 102.180 113.000 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2304 sx-c -sx 97.340 108.800 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2305 sy-c -sy 95.370 115.780 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2306 c2-cu-cx 58.560 148.210 SOURCE4 6 1.8305
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2307 c -cu-cu 94.970 62.600 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2308 cu-cu-cx 100.970 50.800 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2309 cu-cu-ha 46.110 147.730 SOURCE2 3 2.0950
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2310 cv-cv-cy 73.280 94.170 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2311 cv-cv-ha 47.300 133.700 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2312 cx-cv-cx 84.660 63.900 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2313 cy-cv-ha 42.890 132.140 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2314 c1-cx-cx 63.100 120.660 SOURCE4 9 0.9067
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2315 c2-cx-cx 62.330 120.540 SOURCE4 51 2.2377
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2316 c2-cx-h1 46.630 115.780 SOURCE4 8 0.2332
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2317 c2-cx-hc 46.770 115.100 SOURCE4 12 0.7463
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2318 c2-cx-os 67.140 116.170 SOURCE4 14 1.2782
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2319 c3-cx-c3 63.000 114.480 SOURCE4 46 1.9627
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2320 c3-cx-cx 61.820 120.060 SOURCE4 448 2.1467
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2321 c3-cx-h1 45.870 115.420 SOURCE4 89 1.1096
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2322 c3-cx-hc 46.120 114.160 SOURCE4 85 1.1118
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2323 c3-cx-n3 64.310 118.500 SOURCE4 17 2.4897
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2324 c3-cx-os 66.570 115.500 SOURCE4 161 1.3016
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2325 ca-cx-cx 61.860 122.180 SOURCE4 65 1.6898
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2326 ca-cx-h1 46.810 114.570 SOURCE4 7 0.6498
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2327 ca-cx-hc 47.050 113.410 SOURCE4 18 0.7843
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2328 ca-cx-oh 69.250 112.930 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2329 ca-cx-os 66.420 118.500 SOURCE4 6 0.7514
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2330 c -cx-c3 62.910 116.930 SOURCE4 18 1.8253
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2331 cc-cx-cx 63.040 118.970 SOURCE4 30 0.7725
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2332 cc-cx-hc 47.440 113.840 SOURCE4 15 0.6682
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2333 c -cx-cx 62.960 117.960 SOURCE4 147 1.8483
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2334 cd-cx-cx 62.450 120.460 SOURCE4 9 0.8796
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2335 c -cx-h1 46.270 117.250 SOURCE4 24 0.7935
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2336 c -cx-hc 46.420 116.530 SOURCE4 36 1.2830
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2337 cl-cx-cl 62.910 114.200 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2338 cl-cx-cx 60.790 120.100 SOURCE4 15 0.5917
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2339 cl-cx-h1 43.410 111.430 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2340 cl-cx-hc 42.580 115.800 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2341 c -cx-os 67.250 115.590 SOURCE4 36 0.8227
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2342 cu-cx-cu 91.530 54.600 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2343 cu-cx-cx 88.720 58.500 SOURCE4 7 0.1333
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2344 cu-cx-hc 45.490 118.090 SOURCE4 7 1.0126
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2345 cx-cx-cx 87.900 60.000 SOURCE4 681 0.6259
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2346 cx-cx-cy 67.540 100.530 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2347 cx-cx-f 64.530 117.930 SOURCE4 7 1.1613
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2348 cx-cx-h1 45.450 119.660 SOURCE3 12 0.4529
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2349 cx-cx-hc 45.790 117.920 SOURCE3 92 1.1927
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2350 cx-cx-hx 45.470 119.620 SOURCE4 9 0.1118
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2351 cx-cx-n3 91.170 59.590 SOURCE4 154 0.3104
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2352 cx-cx-na 62.940 125.850 SOURCE4 16 2.0385
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2353 cx-cx-nh 92.030 59.150 SOURCE4 116 0.6758
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2354 cx-cx-os 93.610 59.070 SOURCE4 306 0.5253
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2355 cy-cx-hc 43.980 125.430 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2356 f -cx-f 70.610 106.900 SOURCE2 2 1.4000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2357 f -cx-h1 50.350 111.680 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2358 f -cx-hc 50.220 112.300 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2359 h1-cx-h1 38.380 115.450 SOURCE4 230 0.3302
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2360 h1-cx-n3 47.970 116.430 SOURCE4 173 1.4531
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2361 h1-cx-n 49.060 115.420 SOURCE4 12 1.0443
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2362 h1-cx-na 49.960 108.670 SOURCE4 8 1.6134
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2363 h1-cx-nh 48.500 116.320 SOURCE4 151 1.0310
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2364 h1-cx-os 50.010 115.170 SOURCE3 8 0.0226
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2365 h2-cx-h2 37.870 119.430 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2366 h2-cx-n2 47.550 117.180 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2367 hc-cx-hc 38.580 114.470 SOURCE3 19 0.3295
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2368 hc-cx-os 50.250 114.100 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2369 hx-cx-n4 47.620 114.470 SOURCE4 8 0.1059
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2370 n2-cx-n2 102.060 50.160 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2371 n -cx-oh 70.160 119.750 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2372 n -cx-os 92.710 65.980 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2373 oh-cx-oh 76.670 107.850 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2374 oh-cx-os 71.640 118.120 SOURCE3 4 1.3581
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2375 os-cx-os 70.900 115.840 SOURCE4 7 2.0760
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2376 c2-cy-cy 66.570 100.400 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2377 c3-cy-c3 63.190 111.580 SOURCE4 15 1.0060
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2378 c3-cy-cy 60.760 118.700 SOURCE4 293 1.8510
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2379 c3-cy-h1 46.160 111.770 SOURCE4 119 0.4412
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2380 c3-cy-hc 46.210 111.550 SOURCE3 5 0.6276
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2381 c3-cy-n3 65.280 112.920 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2382 c3-cy-n 68.320 104.050 SOURCE4 122 0.5745
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2383 c3-cy-os 66.990 111.960 SOURCE4 11 1.0668
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2384 c -cy-c3 61.780 116.720 SOURCE4 129 0.5236
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2385 cc-cy-cy 60.440 121.790 SOURCE4 6 0.2155
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2386 c -cy-cy 71.810 84.990 SOURCE4 263 0.6952
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2387 cd-cy-cy 60.650 120.880 SOURCE4 13 0.5333
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2388 ce-cy-h2 45.500 117.250 SOURCE4 17 0.5351
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2398 cv-cy-cy 71.460 86.670 SOURCE4 6 1.1600
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2400 cx-cy-cy 66.080 101.230 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2420 h2-cy-n 48.420 114.440 SOURCE4 88 0.7114
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2423 h2-cy-ss 52.700 109.730 SOURCE4 92 0.7424
dbb480e39d95 Uploaded
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parents:
diff changeset
2424 hc-cy-hc 39.240 109.040 SOURCE3 28 0.5962
dbb480e39d95 Uploaded
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parents:
diff changeset
2425 n -cy-os 71.620 107.500 SOURCE4 9 2.3773
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2427 n -cy-ss 82.030 105.120 SOURCE4 69 0.3987
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2428 nh-cz-nh 72.970 120.170 SOURCE4 26 0.3964
dbb480e39d95 Uploaded
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parents:
diff changeset
2429 br-n1-c1 51.100 180.000 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
diff changeset
2430 c1-n1-c1 64.910 179.920 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2444 c1-n1-o 62.620 179.950 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
2449 c1-n1-p4 53.620 173.640 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2890 c1-na-ss 78.330 118.300 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2891 c2-na-c2 67.800 110.370 SOURCE3 6 0.5121
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2892 c2-na-c3 64.230 117.200 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2893 c2-na-ca 64.550 125.330 SOURCE4 7 0.5648
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2894 c2-na-cc 63.980 125.750 SOURCE3 10 1.5856
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2895 c2-na-cd 63.980 125.750 SOURCE3 10 1.5856
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2896 c2-na-cl 63.280 101.010 SOURCE3 2 1.5799
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2897 c2-na-f 68.640 103.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2898 c2-na-hn 47.620 119.280 SOURCE3 14 6.6027
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2899 c2-na-i 58.980 106.740 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2900 c2-na-n1 66.270 124.810 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2901 c2-na-n2 65.800 125.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2902 c2-na-n3 64.640 124.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2903 c2-na-n4 65.190 121.320 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2904 c2-na-n 65.630 124.700 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2905 c2-na-na 65.140 124.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2906 c2-na-nc 67.270 121.140 SOURCE4 5 1.0225
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2907 c2-na-nd 67.600 119.950 SOURCE3 4 same_as_c2-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2908 c2-na-nh 65.040 124.980 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2909 c2-na-no 64.340 124.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2910 c2-na-o 68.210 125.900 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2911 c2-na-oh 65.800 123.900 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2912 c2-na-os 68.530 110.330 SOURCE3 4 3.2172
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2913 c2-na-p2 60.200 122.140 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2914 c2-na-p3 58.910 126.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2915 c2-na-p4 64.460 125.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2916 c2-na-p5 60.390 125.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2917 c2-na-pc 60.800 121.560 SOURCE3 3 1.6252
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2918 c2-na-pd 60.800 121.560 SOURCE3 3 same_as_c2-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2919 c2-na-s4 73.870 124.900 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2920 c2-na-s6 76.240 124.400 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2921 c2-na-s 74.540 125.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2922 c2-na-sh 76.230 125.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2923 c2-na-ss 78.900 115.530 SOURCE3 5 1.4036
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2924 c3-na-c3 60.720 125.590 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2925 c3-na-ca 63.150 124.360 SOURCE3 5 4.2557
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2926 c3-na-cc 62.560 125.090 SOURCE3 18 1.2138
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2927 c3-na-cd 62.560 125.090 SOURCE3 18 1.2138
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2928 c3-na-cp 63.760 119.460 SOURCE4 7 0.4108
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2929 c3-na-n2 65.480 120.050 SOURCE4 5 0.8795
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2930 c3-na-n 67.370 112.680 SOURCE4 12 0.5122
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2931 c3-na-nc 65.740 120.460 SOURCE3 8 2.1625
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2932 c3-na-nd 65.740 120.460 SOURCE3 8 2.1625
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2933 c3-na-os 68.910 104.390 SOURCE3 3 1.2017
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2934 c3-na-p2 59.290 123.120 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2935 c3-na-pc 59.960 122.110 SOURCE3 3 2.8504
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2936 c3-na-pd 59.960 122.110 SOURCE3 3 same_as_c3-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2937 c3-na-sh 80.220 110.280 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2938 c3-na-ss 79.610 110.870 SOURCE3 3 0.8260
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2939 ca-na-ca 66.980 120.090 SOURCE4 321 1.7366
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2940 ca-na-cc 68.460 113.150 SOURCE3 18 9.8644
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2941 ca-na-cd 68.460 113.150 SOURCE3 18 9.8644
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2942 ca-na-cl 57.170 124.790 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2943 ca-na-cp 65.880 120.960 SOURCE4 20 1.2820
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2944 ca-na-cx 63.070 124.090 SOURCE4 12 1.8167
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2945 ca-na-f 65.510 116.400 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2946 ca-na-hn 47.630 125.590 SOURCE4 437 1.1893
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2947 ca-na-i 55.210 121.620 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2948 ca-na-n2 68.210 119.850 SOURCE4 6 1.2043
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2949 ca-na-n4 66.370 120.190 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2950 ca-na-n 67.340 122.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2951 ca-na-na 66.290 123.760 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2952 ca-na-nb 68.180 122.160 SOURCE4 7 0.8543
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2953 ca-na-nc 69.270 117.850 SOURCE3 6 3.6536
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2954 ca-na-nd 69.270 117.850 SOURCE3 6 same_as_ca-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2955 ca-na-nh 66.140 124.330 SOURCE4 7 1.3855
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2956 ca-na-o 71.140 119.990 SOURCE4 51 1.2671
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2957 ca-na-oh 66.690 124.080 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2958 ca-na-os 69.700 109.460 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2959 ca-na-p2 59.660 125.850 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2960 ca-na-p3 59.650 124.380 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2961 ca-na-p4 65.120 124.970 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2962 ca-na-p5 61.240 123.300 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2963 ca-na-pc 61.050 122.130 SOURCE3 3 2.2393
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2964 ca-na-pd 61.050 122.130 SOURCE3 3 same_as_ca-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2965 ca-na-py 57.370 140.880 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2966 ca-na-s4 76.640 117.230 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2967 ca-na-s6 77.900 120.690 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2968 ca-na-s 75.010 125.640 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2969 ca-na-sh 76.630 125.440 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2970 ca-na-ss 74.880 129.910 SOURCE4 8 0.1449
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2971 cc-na-cc 68.940 109.900 SOURCE3 109 1.5547
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2972 cc-na-cd 63.880 128.010 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2973 cc-na-ce 63.050 126.610 SOURCE4 8 0.5158
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2974 cc-na-cl 57.100 124.610 SOURCE3 3 0.5208
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2975 cc-na-f 64.600 118.030 SOURCE3 4 0.3081
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2976 cc-na-hn 46.990 125.660 SOURCE4 549 1.5224
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2977 cc-na-i 54.340 125.700 SOURCE3 6 0.7821
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2978 cc-na-n2 66.830 122.960 SOURCE3 15 0.9350
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2979 cc-na-n4 65.900 120.310 SOURCE3 10 3.4394
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2980 cc-na-n 66.520 123.190 SOURCE3 13 0.3010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2981 cc-na-na 65.910 123.430 SOURCE3 23 0.2088
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2982 cc-na-nc 70.180 113.020 SOURCE3 38 2.2867
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2983 cc-na-nd 66.370 126.350 SOURCE4 94 1.1249
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2984 cc-na-nh 66.230 122.250 SOURCE3 19 0.2010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2985 cc-na-no 65.400 121.780 SOURCE3 9 0.3521
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2986 cc-na-o 69.010 125.210 SOURCE3 10 0.0124
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2987 cc-na-oh 66.670 122.380 SOURCE3 10 0.1570
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2988 cc-na-os 67.340 115.740 SOURCE3 41 5.4093
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2989 cc-na-p2 59.490 125.860 SOURCE3 14 2.2993
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2990 cc-na-p3 59.280 125.250 SOURCE3 8 0.1998
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2991 cc-na-p4 64.080 127.730 SOURCE3 7 3.6077
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2992 cc-na-p5 60.690 124.700 SOURCE3 13 1.4225
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2993 cc-na-s4 75.240 121.030 SOURCE3 10 0.5589
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2994 cc-na-s6 77.180 122.190 SOURCE3 10 0.9634
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2995 cc-na-s 74.800 125.660 SOURCE3 8 0.1880
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2996 cc-na-sh 76.830 123.960 SOURCE3 10 0.3424
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2997 cc-na-ss 76.340 124.220 SOURCE4 8 0.1585
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2998 cd-na-cd 68.940 109.900 SOURCE3 109 1.5547
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
2999 cd-na-cl 57.100 124.610 SOURCE3 3 same_as_cc-na-cl
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3000 cd-na-f 64.600 118.030 SOURCE3 4 0.3081
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3001 cd-na-hn 47.070 125.220 SOURCE4 312 1.1426
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3002 cd-na-i 54.340 125.700 SOURCE3 6 0.7821
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3003 cd-na-n2 66.830 122.960 SOURCE3 15 0.9350
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3004 cd-na-n4 65.900 120.310 SOURCE3 10 3.4394
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3005 cd-na-n 66.520 123.190 SOURCE3 13 0.3010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3006 cd-na-na 65.910 123.430 SOURCE3 23 0.2088
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3007 cd-na-nc 66.510 125.820 SOURCE4 30 1.6776
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3008 cd-na-nd 70.180 113.020 SOURCE3 38 2.2867
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3009 cd-na-nh 66.230 122.250 SOURCE3 19 0.2010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3010 cd-na-no 65.400 121.780 SOURCE3 9 0.3521
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3011 cd-na-o 69.010 125.210 SOURCE3 10 0.0124
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3012 cd-na-oh 66.670 122.380 SOURCE3 10 0.1570
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3013 cd-na-os 65.210 123.420 SOURCE4 7 2.3824
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3014 cd-na-p2 59.490 125.860 SOURCE3 14 2.2993
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3015 cd-na-p3 59.280 125.250 SOURCE3 8 0.1998
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3016 cd-na-p4 64.080 127.730 SOURCE3 7 same_as_cc-na-p4
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3017 cd-na-p5 60.690 124.700 SOURCE3 13 1.4225
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3018 cd-na-s4 75.240 121.030 SOURCE3 10 0.5589
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3019 cd-na-s6 77.180 122.190 SOURCE3 10 0.9634
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3020 cd-na-s 74.800 125.660 SOURCE3 8 0.1880
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3021 cd-na-sh 76.830 123.960 SOURCE3 10 0.3424
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3022 cd-na-ss 77.930 119.180 SOURCE3 36 5.0538
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3023 cl-na-cl 56.330 122.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3024 cl-na-nc 59.890 119.360 SOURCE3 4 1.7128
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3025 cl-na-nd 59.890 119.360 SOURCE3 4 same_as_cl-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3026 cl-na-os 63.040 106.580 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3027 cl-na-p2 58.340 121.290 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3028 cl-na-pc 58.780 120.510 SOURCE3 3 2.1985
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3029 cl-na-pd 58.780 120.510 SOURCE3 3 same_as_cl-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3030 cl-na-ss 77.180 111.910 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3031 f -na-f 62.220 120.200 SOURCE3 1
dbb480e39d95 Uploaded
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parents:
diff changeset
3032 f -na-nc 66.640 118.050 SOURCE3 4 1.7931
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3033 f -na-nd 66.640 118.050 SOURCE3 4 same_as_f-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3034 f -na-os 69.150 103.860 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3035 f -na-p2 59.680 119.950 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3036 f -na-pc 60.340 119.100 SOURCE3 3 2.3967
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3037 f -na-pd 60.340 119.100 SOURCE3 3 same_as_f-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3038 f -na-ss 80.160 108.010 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3039 hn-na-hn 39.830 116.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3040 hn-na-n 50.900 111.260 SOURCE4 5 1.1280
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3041 hn-na-nc 50.000 119.610 SOURCE3 16 1.8079
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3042 hn-na-nd 50.000 119.610 SOURCE3 16 1.8079
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3043 hn-na-os 51.440 101.410 SOURCE3 7 3.0814
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3044 hn-na-p2 40.320 122.520 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3045 hn-na-pc 40.940 121.480 SOURCE3 3 2.9355
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3046 hn-na-pd 40.940 121.480 SOURCE3 3 same_as_hn-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3047 hn-na-ss 53.460 113.950 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3048 i -na-i 58.320 124.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3049 i -na-nc 56.940 120.030 SOURCE3 4 2.0032
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3050 i -na-nd 56.940 120.030 SOURCE3 4 same_as_i-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3051 i -na-os 59.850 109.910 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3052 i -na-p2 57.960 122.280 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3053 i -na-pc 58.320 121.400 SOURCE3 3 2.4763
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3054 i -na-pd 58.320 121.400 SOURCE3 3 same_as_i-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3055 i -na-ss 74.730 118.400 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3056 n2-na-n2 70.350 116.710 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3057 n2-na-nc 69.850 119.960 SOURCE3 4 4.5041
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3058 n2-na-nd 69.850 119.960 SOURCE3 4 same_as_n2-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3059 n2-na-os 70.330 111.530 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3060 n2-na-p2 61.200 124.880 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3061 n2-na-pc 62.110 123.180 SOURCE3 3 4.7947
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3062 n2-na-pd 62.110 123.180 SOURCE3 3 same_as_n2-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3063 n2-na-ss 78.110 124.640 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3064 n3-na-n3 65.770 124.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3065 n4-na-n4 68.570 111.700 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3066 n4-na-nc 69.090 116.440 SOURCE3 4 3.6604
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3067 n4-na-nd 69.090 116.440 SOURCE3 4 same_as_n4-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3068 n4-na-os 71.610 102.970 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3069 n4-na-p2 60.870 123.560 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3070 n4-na-pc 61.710 121.980 SOURCE3 3 4.4884
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3071 n4-na-pd 61.710 121.980 SOURCE3 3 same_as_n4-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3072 na-na-na 66.770 123.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3073 na-na-nc 69.080 119.640 SOURCE3 4 1.6920
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3074 na-na-nd 69.080 119.640 SOURCE3 4 same_as_na-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3075 na-na-os 70.250 109.470 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3076 na-na-p2 61.690 121.720 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3077 na-na-pc 62.360 120.910 SOURCE3 3 2.3033
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3078 na-na-pd 62.360 120.910 SOURCE3 3 same_as_na-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3079 na-na-ss 80.370 116.500 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3080 nc-na-nc 71.200 117.080 SOURCE3 31 1.8121
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3081 nc-na-nd 69.530 122.770 SOURCE4 5 0.1352
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3082 nc-na-nh 68.820 120.550 SOURCE3 8 1.1436
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3083 nc-na-no 68.190 119.150 SOURCE3 4 1.6049
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3084 nc-na-o 72.040 122.790 SOURCE3 6 1.3154
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3085 nc-na-oh 69.710 119.220 SOURCE3 4 1.7201
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3086 nc-na-os 68.300 119.650 SOURCE3 4 1.5019
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3087 nc-na-p2 62.600 119.990 SOURCE3 4 3.6009
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3088 nc-na-p3 62.200 120.070 SOURCE3 4 3.7188
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3089 nc-na-p4 68.140 119.770 SOURCE3 3 0.3747
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3090 nc-na-p5 63.880 118.950 SOURCE3 4 3.1194
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3091 nc-na-pc 63.450 118.660 SOURCE3 27 1.5082
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3092 nc-na-s4 77.870 119.200 SOURCE3 4 2.3841
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3093 nc-na-s6 80.300 119.240 SOURCE3 4 2.2262
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3094 nc-na-s 77.910 122.260 SOURCE3 4 0.9173
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3095 nc-na-sh 80.100 120.500 SOURCE3 4 1.5016
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3096 nc-na-ss 79.650 120.500 SOURCE3 4 1.5615
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3097 nd-na-nd 71.200 117.080 SOURCE3 31 1.8121
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3098 nd-na-nh 68.820 120.550 SOURCE3 8 same_as_nc-na-nh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3099 nd-na-no 68.190 119.150 SOURCE3 4 same_as_nc-na-no
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3100 nd-na-o 72.040 122.790 SOURCE3 6 same_as_nc-na-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3101 nd-na-oh 69.710 119.220 SOURCE3 4 same_as_nc-na-oh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3102 nd-na-os 68.300 119.650 SOURCE3 4 same_as_nc-na-os
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3103 nd-na-p2 62.600 119.990 SOURCE3 4 same_as_nc-na-p2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3104 nd-na-p3 62.200 120.070 SOURCE3 4 same_as_nc-na-p3
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3105 nd-na-p4 68.140 119.770 SOURCE3 3 same_as_nc-na-p4
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3106 nd-na-p5 63.880 118.950 SOURCE3 4 same_as_nc-na-p5
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3107 nd-na-pd 63.450 118.660 SOURCE3 27 same_as_nc-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3108 nd-na-s4 77.870 119.200 SOURCE3 4 same_as_nc-na-s4
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3109 nd-na-s6 80.300 119.240 SOURCE3 4 same_as_nc-na-s6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3110 nd-na-s 77.910 122.260 SOURCE3 4 same_as_nc-na-s
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3111 nd-na-sh 80.100 120.500 SOURCE3 4 same_as_nc-na-sh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3112 nd-na-ss 79.650 120.500 SOURCE3 4 same_as_nc-na-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3113 nh-na-nh 66.770 123.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3114 nh-na-os 69.650 111.370 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3115 nh-na-p2 61.900 120.860 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3116 nh-na-pc 62.500 120.380 SOURCE3 6 1.3513
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3117 nh-na-pd 62.500 120.380 SOURCE3 6 same_as_nh-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3118 nh-na-ss 81.840 112.350 SOURCE3 2 5.2951
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3119 n -na-n 67.780 123.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3120 n -na-nc 69.610 119.850 SOURCE3 4 1.6156
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3121 n -na-nd 69.610 119.850 SOURCE3 4 same_as_n-na-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3122 no-na-no 65.220 122.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3123 no-na-os 70.300 106.550 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3124 no-na-pc 62.140 120.110 SOURCE3 3 2.0821
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3125 no-na-pd 62.140 120.110 SOURCE3 3 same_as_no-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3126 n -na-os 72.340 104.710 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3127 no-na-ss 80.360 114.950 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3128 n -na-p2 61.990 121.350 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3129 n -na-pc 62.650 120.640 SOURCE3 3 2.0168
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3130 n -na-pd 62.650 120.640 SOURCE3 3 same_as_n-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3131 n -na-ss 80.800 116.100 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3132 oh-na-oh 68.130 122.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3133 oh-na-p2 62.330 120.760 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3134 oh-na-pc 63.000 119.990 SOURCE3 3 2.1734
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3135 oh-na-pd 63.000 119.990 SOURCE3 3 same_as_oh-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3136 oh-na-ss 82.110 113.040 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3137 o -na-o 74.030 126.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3138 o -na-os 70.760 118.390 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3139 o -na-p2 62.830 122.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3140 o -na-pc 63.490 122.340 SOURCE3 3 1.2908
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3141 o -na-pd 63.490 122.340 SOURCE3 3 same_as_o-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3142 os-na-os 71.290 104.450 SOURCE3 2 0.0983
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3143 os-na-p2 62.590 117.860 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3144 os-na-p3 66.040 104.700 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3145 os-na-p5 65.290 111.410 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3146 os-na-pc 62.490 119.910 SOURCE3 3 1.9002
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3147 os-na-pd 62.490 119.910 SOURCE3 3 same_as_os-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3148 os-na-s4 82.020 105.880 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3149 os-na-s6 82.010 112.000 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3150 os-na-ss 82.680 109.640 SOURCE3 3 4.1395
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3151 p2-na-p2 60.320 120.910 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3152 p2-na-p3 59.150 124.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3153 p2-na-p5 60.140 123.990 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3154 p2-na-pc 60.660 120.720 SOURCE3 3 0.2407
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3155 p2-na-pd 60.660 120.720 SOURCE3 3 same_as_p2-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3156 p2-na-s4 74.880 122.470 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3157 p2-na-s6 76.310 122.500 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3158 p2-na-s 75.690 121.850 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3159 p2-na-sh 76.680 121.750 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3160 p2-na-ss 76.380 121.880 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3161 p3-na-p3 58.510 126.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3162 p3-na-pc 59.780 123.320 SOURCE3 3 4.1781
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3163 p3-na-pd 59.780 123.320 SOURCE3 3 same_as_p3-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3164 p5-na-p5 60.590 124.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3165 p5-na-pc 60.760 122.690 SOURCE3 3 3.6738
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3166 p5-na-pd 60.760 122.690 SOURCE3 3 same_as_p5-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3167 p5-na-ss 78.220 118.520 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3168 pc-na-pc 60.940 120.780 SOURCE3 27 1.6457
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3169 pc-na-s4 75.520 121.510 SOURCE3 3 2.7242
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3170 pc-na-s6 76.990 121.550 SOURCE3 3 2.7065
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3171 pc-na-s 76.170 121.470 SOURCE3 3 1.0668
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3172 pc-na-sh 77.280 121.080 SOURCE3 3 1.8942
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3173 pc-na-ss 76.970 121.200 SOURCE3 3 1.9295
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3174 pd-na-pd 60.940 120.780 SOURCE3 27 same_as_pc-na-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3175 pd-na-s4 75.520 121.510 SOURCE3 3 same_as_pc-na-s4
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3176 pd-na-s6 76.990 121.550 SOURCE3 3 same_as_pc-na-s6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3177 pd-na-s 76.170 121.470 SOURCE3 3 same_as_pc-na-s
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3178 pd-na-sh 77.280 121.080 SOURCE3 3 same_as_pc-na-sh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3179 pd-na-ss 76.970 121.200 SOURCE3 3 same_as_pc-na-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3180 py-na-py 76.600 78.250 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3181 s4-na-s4 92.990 124.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3182 s4-na-s6 99.310 112.860 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3183 s4-na-ss 99.570 111.920 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3184 s6-na-s6 96.930 123.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3185 s6-na-ss 98.410 119.100 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3186 sh-na-sh 96.720 124.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3187 sh-na-ss 98.710 118.790 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3188 s -na-s 93.790 126.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3189 s -na-ss 100.150 112.490 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3190 ss-na-ss 100.760 113.240 SOURCE3 2 6.6084
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3191 sy-na-sy 96.930 123.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3192 ca-nb-ca 68.590 115.860 SOURCE3 46 1.1645
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3193 ca-nb-cp 68.010 118.040 SOURCE4 58 0.7819
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3194 ca-nb-cq 68.010 118.040 SOURCE4 58 same as ca-nb-cp
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3195 ca-nb-nb 69.370 118.890 SOURCE3 10 0.6031
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3196 cp-nb-nb 68.790 121.110 SOURCE4 12 0.4315
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3197 nb-nb-nb 70.440 121.040 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3198 br-n -br 66.590 116.200 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3199 br-n -c 61.850 120.770 SOURCE3 5 2.6390
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3200 br-n -ca 62.070 118.190 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3201 br-n -cc 62.340 118.190 SOURCE3 1 same_as_br-n-cd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3202 br-n -cd 62.340 118.190 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3203 c1-n -c1 73.520 102.690 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3204 c1-n -ca 65.900 118.880 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3205 c1-n -cc 67.020 118.880 SOURCE3 1 same_as_c1-n-cd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3206 c1-n -cd 67.020 118.880 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3207 c2-n -c2 65.180 116.750 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3208 c2-n -c3 63.060 119.980 SOURCE4 23 2.3373
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3209 c2-n -ca 64.880 116.540 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3210 c2-n -cc 65.850 116.540 SOURCE3 1 same_as_c2-n-cd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3211 c2-n -cd 65.850 116.540 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3212 c2-n -hn 47.330 118.360 SOURCE4 40 1.8005
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3213 c3-n -c3 63.130 115.560 SOURCE4 392 2.0191
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3214 c3-n -ca 62.760 119.960 SOURCE4 165 2.0808
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3215 c3-n -cc 63.380 120.810 SOURCE4 172 1.6565
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3216 c3-n -cd 63.240 121.340 SOURCE4 95 1.0297
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3217 c3-n -cy 62.510 117.110 SOURCE4 49 1.0344
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3218 c3-n -hn 46.040 116.780 SOURCE3 39 2.1985
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3219 c3-n -n2 64.890 121.680 SOURCE4 52 1.3175
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3220 c3-n -n 66.400 114.820 SOURCE4 9 0.7008
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3221 c3-n -nc 66.990 115.190 SOURCE4 41 0.8150
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3222 c3-n -nd 66.870 115.310 SOURCE4 7 0.9993
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3223 c3-n -oh 66.880 113.050 SOURCE4 31 0.8144
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3224 c3-n -os 66.990 112.650 SOURCE4 16 1.5399
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3225 c3-n -sy 76.610 121.270 SOURCE4 5 1.1298
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3235 ca-n -n 66.300 118.540 SOURCE4 21 0.3399
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3236 ca-n -na 66.330 119.310 SOURCE4 16 0.3168
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3237 ca-n -nc 68.180 114.630 SOURCE4 5 0.3030
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3238 ca-n -nd 68.570 113.030 SOURCE3 1 same_as_ca-n-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3239 ca-n -nh 66.600 116.450 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3240 ca-n -p2 62.890 112.320 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3241 ca-n -p3 58.640 125.110 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3242 ca-n -s4 75.900 118.400 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3243 ca-n -s6 78.480 117.320 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3244 ca-n -ss 78.660 116.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3245 c -n -c1 68.470 117.040 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3246 c -n -c2 65.090 122.150 SOURCE3 9 5.1016
dbb480e39d95 Uploaded
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parents:
diff changeset
3247 c -n -c3 63.920 121.350 SOURCE3 54 2.3808
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3248 c3-nc-cd 67.600 109.510 SOURCE3 9 5.4142
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3249 c -n -c 65.330 127.140 SOURCE4 514 2.0111
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3250 c -n -ca 64.290 123.710 SOURCE3 10 3.8159
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3251 ca-nc-ca 70.730 109.950 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3252 ca-nc-cd 72.670 104.240 SOURCE4 187 1.2216
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3255 ca-nc-os 73.070 104.500 SOURCE4 9 0.1740
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3256 ca-nc-ss 85.860 116.290 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3257 c -n -cc 65.240 124.190 SOURCE3 57 2.2262
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3258 c -nc-ca 66.430 120.660 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3259 cc-n -cc 68.800 108.920 SOURCE3 11 0.3167
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3260 cc-nc-cc 68.600 110.190 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3261 cc-nc-cd 70.480 107.470 SOURCE3 26 5.4053
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3262 c -nc-cd 66.550 120.320 SOURCE4 76 0.9196
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3263 cc-n -cl 62.010 117.720 SOURCE3 1 same_as_cd-n-cl
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3264 cc-nc-na 73.380 102.970 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3265 cc-nc-nd 72.540 107.940 SOURCE3 6 1.4052
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3266 c -n -cd 65.240 124.190 SOURCE3 57 2.2262
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3267 cd-nc-cd 68.020 119.060 SOURCE4 7 0.1559
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3268 cd-nc-n 69.430 118.060 SOURCE4 60 1.8266
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3269 cd-nc-na 74.240 103.730 SOURCE3 122 2.3292
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3270 cd-nc-nc 72.470 106.430 SOURCE4 9 0.7064
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3271 cd-nc-os 73.170 104.300 SOURCE4 58 1.0231
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3272 cd-nc-ss 88.980 108.340 SOURCE4 33 1.3882
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3273 c -n -ce 62.210 131.830 SOURCE4 146 1.3048
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3274 cc-n -f 65.610 114.920 SOURCE3 1 same_as_cd-n-f
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3275 cc-n -hn 48.080 118.710 SOURCE4 170 2.2963
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3276 cc-n -i 56.610 119.300 SOURCE3 1 same_as_cd-n-i
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3277 c -n -cl 62.720 116.350 SOURCE4 11 0.6829
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3278 cc-n -n2 70.090 110.870 SOURCE3 1 same_as_cd-n-n2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3279 cc-n -n 66.530 121.370 SOURCE3 1 same_as_cd-n-n
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3280 cc-n -na 67.870 117.570 SOURCE3 1 same_as_cd-n-na
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3281 cc-n -nc 70.120 111.950 SOURCE4 13 0.6972
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3282 cc-n -nh 67.300 117.520 SOURCE3 1 same_as_cd-n-nh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3283 cc-n -no 66.400 115.920 SOURCE3 1 same_as_cd-n-no
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3284 cc-n -o 70.070 120.540 SOURCE3 1 same_as_cd-n-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3285 cc-n -oh 67.320 118.150 SOURCE3 1 same_as_cd-n-oh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3286 cc-n -os 68.060 115.560 SOURCE3 1 same_as_cd-n-os
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3287 cc-n -p2 63.340 112.320 SOURCE3 1 same_as_cd-n-p2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3288 cc-n -p3 59.020 125.110 SOURCE3 1 same_as_cd-n-p3
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3289 cc-n -p5 61.710 121.000 SOURCE3 1 same_as_cd-n-p5
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3290 cc-n -s4 76.360 118.400 SOURCE3 1 same_as_cd-n-s4
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3291 cc-n -s6 79.070 117.320 SOURCE3 1 same_as_cd-n-s6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3292 cc-n -s 76.920 118.290 SOURCE3 1 same_as_cd-n-s
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3293 cc-n -sh 78.020 119.130 SOURCE3 1 same_as_cd-n-sh
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3294 cc-n -ss 79.250 116.600 SOURCE3 2 same_as_cd-n-ss
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3295 c -n -cx 64.220 122.070 SOURCE4 11 1.9478
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3296 c -n -cy 72.260 94.230 SOURCE4 270 1.3777
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3297 cd-n -cd 68.800 108.920 SOURCE3 11 same_as_cc-n-cc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3298 cd-n -cl 62.010 117.720 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3299 cd-n -f 65.610 114.920 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3300 cd-n -hn 47.860 119.820 SOURCE4 106 1.1020
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3301 cd-n -i 56.610 119.300 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3302 cd-n -n2 70.090 110.870 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3303 cd-n -n 66.530 121.370 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3304 cd-n -na 67.870 117.570 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3305 cd-n -nd 69.680 113.030 SOURCE3 1 same_as_cc-n-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3306 cd-n -nh 67.300 117.520 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3307 cd-n -no 66.400 115.920 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3308 cd-n -o 70.070 120.540 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3309 cd-n -oh 67.320 118.150 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3310 cd-n -os 68.060 115.560 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3311 cd-n -p2 63.340 112.320 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3312 cd-n -p3 59.020 125.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3313 cd-n -p5 61.710 121.000 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3314 cd-n -s4 76.360 118.400 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3315 cd-n -s6 79.070 117.320 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3316 cd-n -s 76.920 118.290 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3317 cd-n -sh 78.020 119.130 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3318 cd-n -ss 79.250 116.600 SOURCE3 2 1.8318
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3319 ce-n -cy 64.680 111.970 SOURCE4 142 2.1245
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3320 c -n -f 68.300 108.630 SOURCE3 3 4.6785
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3321 cf-n -cy 64.910 110.790 SOURCE4 10 1.1677
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3322 c -n -hn 49.210 118.460 SOURCE3 157 2.4094
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3323 c -n -i 56.340 120.380 SOURCE3 5 2.1600
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3324 cl-n -cl 63.240 111.690 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3325 c -n -n2 68.060 120.590 SOURCE3 9 3.2410
dbb480e39d95 Uploaded
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parents:
diff changeset
3326 c -n -n3 67.130 120.430 SOURCE3 5 0.9481
dbb480e39d95 Uploaded
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parents:
diff changeset
3327 c -n -n4 68.850 112.320 SOURCE3 5 1.2622
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3328 c -n -n 68.180 118.420 SOURCE3 10 2.8922
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3329 c -n -na 68.250 119.200 SOURCE3 11 2.3032
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3330 na-nc-nd 75.970 105.470 SOURCE3 6 0.6349
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3331 c -n -nc 67.170 125.230 SOURCE4 72 2.1204
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3332 nc-nc-nd 73.150 111.150 SOURCE3 3 same_as_nc-nd-nd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3333 c -n -nd 67.140 124.930 SOURCE4 12 2.2148
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3334 nd-nc-os 74.420 107.220 SOURCE3 3 0.4707
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3335 c -n -nh 68.020 117.810 SOURCE4 21 1.5935
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3336 c -n -no 66.470 118.160 SOURCE3 4 5.4870
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3337 c -n -o 71.640 118.900 SOURCE3 9 5.4085
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3338 c -n -oh 69.530 113.390 SOURCE3 6 1.3345
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3339 c -n -os 69.600 113.140 SOURCE3 7 3.0839
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3340 c -n -p2 60.460 124.560 SOURCE3 8 3.6907
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3342 c -n -p4 60.710 123.440 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3343 c -n -p5 60.230 128.500 SOURCE4 6 0.5353
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3344 c -n -pc 60.840 122.230 SOURCE3 3 2.8787
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3345 c -n -pd 60.840 122.230 SOURCE3 3 same_as_c-n-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3346 c -n -s4 76.060 120.410 SOURCE3 4 3.1760
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3352 cx-n -hn 46.260 118.580 SOURCE4 5 0.3288
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3354 cy-n -hn 45.340 119.000 SOURCE4 65 1.3840
dbb480e39d95 Uploaded
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parents:
diff changeset
3355 c3-nd-cc 67.600 109.510 SOURCE3 9 same_as_c3-nc-cd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3358 ca-nd-n 73.580 104.690 SOURCE3 1 same_as_ca-nc-n
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3361 ca-nd-os 73.130 104.340 SOURCE3 1 same_as_ca-nc-os
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3365 cc-nd-cc 68.900 116.040 SOURCE4 10 0.2861
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3366 cc-nd-cd 71.090 105.630 SOURCE4 1214 2.1301
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3367 cc-nd-n 73.800 104.150 SOURCE3 4 same_as_cd-nc-n
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3369 cc-nd-nd 71.970 107.920 SOURCE4 346 1.6831
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3370 cc-nd-os 72.920 105.010 SOURCE4 58 0.4186
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3371 cc-nd-ss 89.270 107.640 SOURCE4 12 0.4724
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3372 cd-nd-cd 70.890 103.170 SOURCE4 5 0.0317
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3373 cd-nd-na 73.380 102.970 SOURCE3 1 same_as_cc-nc-na
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3374 cd-nd-nc 72.540 107.940 SOURCE3 6 1.4052
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3375 na-nd-nc 75.970 105.470 SOURCE3 6 0.6349
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3376 nc-nd-nd 73.100 111.300 SOURCE4 58 0.2082
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3377 nc-nd-os 74.420 107.220 SOURCE3 3 same_as_nd-nc-os
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3378 c1-ne-ca 60.080 152.480 SOURCE4 8 1.5840
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3379 c1-ne-cg 66.000 140.000 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3380 c2-ne-ca 66.060 120.920 SOURCE4 53 1.9651
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3381 c2-ne-ce 67.330 118.170 SOURCE3 3 1.2374
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3382 c2-ne-cg 68.360 123.580 SOURCE4 12 0.8560
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3383 c2-ne-n2 74.560 113.310 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3384 c2-ne-ne 69.170 110.860 SOURCE3 7 4.5874
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3385 c2-ne-p2 63.870 134.030 SOURCE3 1
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3387 c2-ne-px 63.660 117.750 SOURCE3 5 0.8581
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3388 c2-ne-py 66.630 117.040 SOURCE3 3 1.4398
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3389 c2-ne-sx 77.140 111.980 SOURCE3 3 0.4090
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3390 c2-ne-sy 77.530 120.970 SOURCE4 6 0.2394
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3391 ca-ne-cf 65.630 121.760 SOURCE4 9 1.9872
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3392 ca-ne-n2 69.660 114.270 SOURCE4 9 0.4600
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3433 pe-ne-s 83.520 115.730 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
3438 s -ne-sy 102.420 119.630 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3498 s -nf-sy 102.420 119.630 SOURCE3 1 same_as_s-ne-sy
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3519 c3-nh-c3 63.530 114.440 SOURCE4 523 2.1428
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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3524 c3-nh-cz 63.010 125.510 SOURCE4 12 0.5177
dbb480e39d95 Uploaded
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parents:
diff changeset
3525 c3-nh-hn 46.460 114.950 SOURCE3 19 2.4787
dbb480e39d95 Uploaded
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parents:
diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3529 c3-nh-p2 60.930 123.350 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
3534 ca-nh-cl 62.010 113.150 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3535 ca-nh-cx 63.110 123.630 SOURCE4 36 0.5899
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3537 ca-nh-hn 49.080 116.130 SOURCE4 1780 1.2853
dbb480e39d95 Uploaded
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diff changeset
3538 ca-nh-i 55.550 117.830 SOURCE3 1 0.0000
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diff changeset
3539 ca-nh-n1 69.370 117.130 HF/6-31G* 1
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marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
3542 ca-nh-n4 68.560 108.940 SOURCE3 5 0.6562
dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3544 ca-nh-na 68.580 114.540 SOURCE3 8 0.7807
dbb480e39d95 Uploaded
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diff changeset
3545 ca-nh-nh 68.490 114.870 SOURCE3 6 2.1432
dbb480e39d95 Uploaded
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diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
3552 ca-nh-p4 61.180 124.010 SOURCE3 3 2.5810
dbb480e39d95 Uploaded
marcel
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diff changeset
3553 ca-nh-p5 61.760 125.610 SOURCE3 3 0.5287
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marcel
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diff changeset
3554 ca-nh-s4 78.630 115.620 SOURCE3 3 0.3434
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marcel
parents:
diff changeset
3555 ca-nh-s6 77.920 123.530 SOURCE4 33 2.0385
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3556 ca-nh-s 75.150 122.540 SOURCE3 3 2.7001
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3557 ca-nh-sh 78.190 121.410 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3558 ca-nh-ss 78.160 121.500 SOURCE3 3 2.6255
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3559 ca-nh-sy 76.750 125.260 SOURCE4 41 1.7517
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3560 cc-nh-cx 63.320 122.820 SOURCE4 42 1.1841
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3561 cc-nh-hn 48.860 117.160 SOURCE3 11 2.6137
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3562 cc-nh-n2 68.230 119.660 SOURCE4 5 1.3903
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3563 cc-nh-sy 77.480 122.910 SOURCE4 23 1.2029
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3564 cd-nh-cx 62.500 126.090 SOURCE4 16 2.3269
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3565 cd-nh-hn 48.860 117.160 SOURCE3 11 2.6137
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3566 ce-nh-hn 48.340 115.620 SOURCE4 187 1.0421
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3567 ce-nh-o 66.820 129.430 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3568 ce-nh-sy 80.450 112.970 SOURCE4 7 1.0636
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3569 cf-nh-hn 48.620 115.620 SOURCE4 16 1.3549
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3570 cf-nh-o 67.070 129.430 SOURCE3 1 same_as_ce-nh-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3571 cl-nh-cl 62.930 106.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3572 cl-nh-hn 43.080 104.140 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3573 cx-nh-cx 86.530 62.020 SOURCE4 45 0.6189
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3574 cx-nh-hn 45.790 118.890 SOURCE4 8 0.1391
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3575 cz-nh-hn 48.790 121.240 SOURCE4 40 0.5682
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3576 f -nh-f 66.930 101.700 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3577 f -nh-hn 49.800 101.230 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3578 hn-nh-hn 40.050 114.850 SOURCE4 1108 2.0811
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3579 hn-nh-i 36.550 107.570 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3580 hn-nh-n1 52.310 110.570 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3581 hn-nh-n2 50.080 118.220 SOURCE4 75 2.3319
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3582 hn-nh-n3 50.050 109.120 SOURCE3 5 2.3680
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3583 hn-nh-n4 49.690 104.400 SOURCE3 3 0.5056
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3584 hn-nh-n 50.890 107.960 SOURCE4 16 1.2025
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3585 hn-nh-na 50.950 107.910 SOURCE3 26 1.5528
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3586 hn-nh-nh 50.320 110.640 SOURCE4 8 1.3390
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3587 hn-nh-no 50.990 109.930 SOURCE4 7 0.2027
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3588 hn-nh-o 52.990 116.450 SOURCE3 2 0.6063
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3589 hn-nh-oh 51.130 106.550 SOURCE4 8 0.4590
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3590 hn-nh-os 51.510 104.760 SOURCE3 3 0.4883
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3591 hn-nh-p2 42.970 118.180 SOURCE3 21 3.6927
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3592 hn-nh-p3 41.930 116.190 SOURCE3 3 3.0539
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3593 hn-nh-p4 43.250 112.600 SOURCE3 3 0.8237
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3594 hn-nh-p5 43.730 115.260 SOURCE3 3 0.9168
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3595 hn-nh-s4 54.500 107.480 SOURCE3 3 1.3960
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3596 hn-nh-s 51.650 114.370 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3597 hn-nh-s6 55.730 109.980 SOURCE4 29 0.7478
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3598 hn-nh-sh 54.760 112.250 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3599 hn-nh-ss 54.360 113.890 SOURCE3 3 1.4030
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3600 hn-nh-sy 54.780 111.230 SOURCE4 62 1.1413
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3601 i -nh-i 59.800 115.820 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3602 n1-nh-n1 75.130 106.710 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3603 n2-nh-n2 70.760 117.500 SOURCE3 2 1.1907
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3604 n2-nh-n3 69.630 115.540 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3605 n2-nh-o 70.400 126.060 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3606 n3-nh-n3 69.520 110.980 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3607 n4-nh-n4 68.150 108.360 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3608 na-nh-na 70.140 112.010 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3609 hn-n -hn 39.730 117.850 SOURCE3 15 2.3694
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3610 nh-nh-nh 70.070 112.230 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3611 hn-n -i 36.080 117.240 SOURCE3 2 0.4435
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3612 hn-n -n2 49.620 118.330 SOURCE3 5 2.2377
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3613 hn-n -n3 48.690 117.220 SOURCE4 37 1.3737
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3614 hn-n -n4 48.900 112.680 SOURCE3 3 1.9746
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3615 hn-n -n 50.140 113.120 SOURCE3 7 3.2954
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3616 hn-n -na 50.400 113.550 SOURCE3 8 1.9324
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3617 hn-n -nc 50.760 115.240 SOURCE4 10 0.4966
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3618 hn-n -nh 49.740 113.130 SOURCE4 12 1.2125
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3619 hn-n -no 48.710 110.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3620 hn-n -o 53.830 116.320 SOURCE3 2 0.0175
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3621 n -nh-o 72.070 115.630 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3622 hn-n -oh 50.330 110.710 SOURCE4 46 1.1278
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3623 no-nh-no 72.070 108.550 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3624 hn-n -os 50.520 109.820 SOURCE4 12 0.6996
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3625 hn-n -p2 41.490 118.050 SOURCE3 7 3.0564
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3626 hn-n -p3 40.240 119.630 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3627 hn-n -p4 41.880 115.710 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3628 hn-n -p5 43.060 113.200 SOURCE4 6 1.0341
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3629 hn-n -s4 52.120 112.460 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3630 hn-n -s 52.060 114.920 SOURCE3 2 0.0260
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3631 hn-n -s6 54.500 112.180 SOURCE4 6 0.6101
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3632 hn-n -sh 53.400 114.910 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3633 hn-n -ss 53.620 115.600 SOURCE3 3 0.6414
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3634 hn-n -sy 54.450 112.340 SOURCE4 38 0.6039
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3635 oh-nh-oh 72.150 106.270 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3636 o -nh-o 72.240 128.060 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3637 os-nh-os 72.410 105.270 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3638 p2-nh-p2 61.230 127.330 SOURCE3 2 2.7857
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3639 p3-nh-p3 59.950 125.080 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3640 p5-nh-p5 65.370 112.760 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3641 s4-nh-s4 100.210 112.390 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3642 s6-nh-s6 99.870 120.270 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3644 s -nh-s 95.590 118.730 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3645 ss-nh-ss 99.620 119.250 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3646 i -n -i 60.660 118.200 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3647 n2-n -n2 70.160 116.890 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3648 n3-n -n3 68.020 117.940 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3649 n4-n -n4 68.420 112.690 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3650 na-n -na 69.610 117.380 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3651 nc-n -nc 71.080 116.410 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3652 nc-n -p2 63.760 117.210 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3653 nc-n -pc 63.550 117.210 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3654 nd-n -nd 70.860 116.410 SOURCE3 1 same_as_nc-n-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3655 nd-n -p2 63.720 117.210 SOURCE3 1 same_as_nc-n-p2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3656 nd-n -pd 63.510 117.210 SOURCE3 1 same_as_nc-n-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3657 nh-n -nh 69.100 115.180 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3658 n -n -n 69.890 114.620 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3659 no-n -no 68.520 108.660 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3660 br-no-o 58.480 113.190 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3661 c1-no-o 71.340 116.630 SOURCE3 6 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3662 c2-no-o 69.870 116.870 SOURCE3 8 0.4200
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3663 c3-no-o 66.960 116.560 SOURCE3 6 0.3959
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3664 ca-no-o 68.740 118.100 SOURCE3 10 1.1524
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3665 cc-no-o 70.340 117.520 SOURCE4 198 0.6255
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3666 cl-no-o 61.610 115.080 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3667 c -no-o 67.100 115.260 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3668 hn-no-o 55.310 115.490 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3669 oh-n -oh 72.050 107.260 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3670 i -no-o 54.600 116.310 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3671 n1-no-o 73.780 115.000 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3672 n2-no-o 65.790 115.100 SOURCE2 2 2.4000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3673 n3-no-o 72.010 115.560 SOURCE3 6 0.6427
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3674 n4-no-o 72.870 109.000 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3675 na-no-o 72.240 115.490 SOURCE3 18 0.5640
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3676 nh-no-o 74.080 115.710 SOURCE3 8 0.4811
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3677 n -no-o 71.670 115.410 SOURCE3 8 0.3748
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3678 no-no-o 59.920 112.380 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3679 o -n -o 73.390 128.610 SOURCE3 3 1.0626
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3680 o -no-o 77.150 125.130 SOURCE4 461 0.7605
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3681 o -no-oh 74.090 114.700 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3682 o -no-os 73.710 114.010 SOURCE3 8 0.9778
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3683 o -no-p2 64.840 117.380 SOURCE3 20 0.8083
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3684 o -no-p3 61.420 116.780 SOURCE3 6 0.4929
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3685 o -no-p4 60.600 116.640 SOURCE3 6 0.0089
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3686 o -no-p5 61.770 116.690 SOURCE3 8 0.4507
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3687 o -no-s4 72.320 114.490 SOURCE3 6 0.5674
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3688 o -no-s6 73.140 114.390 SOURCE3 6 0.8311
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3689 o -no-s 81.060 119.810 SOURCE3 4 0.0042
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3690 o -no-sh 79.650 116.100 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3691 o -no-ss 78.810 115.580 SOURCE3 6 0.5860
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3692 os-n -os 72.280 106.530 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3693 p2-n -p2 61.200 119.620 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3698 pd-n -pd 60.950 119.620 SOURCE3 1 same_as_pc-n-pc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3704 br-oh-ho 42.150 101.600 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3706 c2-oh-ho 49.910 108.980 SOURCE3 6 2.2379
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3707 c3-oh-ho 47.090 108.160 SOURCE3 42 1.3034
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3708 ca-oh-ho 48.850 109.470 SOURCE3 7 1.0405
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3709 cc-oh-ho 50.060 106.970 SOURCE4 63 1.4230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3713 c -oh-ho 51.190 107.370 SOURCE3 34 1.6830
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3714 cl-oh-ho 43.560 102.400 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3715 cx-oh-ho 49.640 106.170 SOURCE3 3 0.0644
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3716 cy-oh-ho 47.620 107.320 SOURCE4 5 0.4955
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3717 f -oh-ho 48.470 96.800 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3718 ho-oh-ho 41.930 104.800 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3719 ho-oh-i 35.670 107.980 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3720 ho-oh-n1 52.550 107.810 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3721 ho-oh-n2 50.570 102.740 SOURCE3 9 2.1286
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3722 ho-oh-n3 50.610 102.330 SOURCE3 5 1.2591
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3723 ho-oh-n4 49.440 106.630 SOURCE3 3 0.2770
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3750 c2-os-os 68.350 102.770 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3752 c2-os-ss 79.830 108.130 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3762 c3-os-n1 66.310 113.500 HF/6-31G* 1
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3767 c3-os-na 64.540 109.910 SOURCE3 9 1.8268
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3769 c3-os-nd 64.800 112.730 SOURCE3 2 same_as_c3-os-nc
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3785 ca-os-ca 63.310 119.950 SOURCE4 107 1.6535
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
3804 cc-os-os 66.270 108.470 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3808 cd-os-na 65.510 111.660 SOURCE3 28 4.1343
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3893 c3-p2-os 65.020 101.340 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3894 c3-p2-p2 65.390 100.480 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3895 c3-p2-s 80.980 105.680 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3896 ca-p2-ca 60.070 99.700 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3897 ca-p2-n2 64.770 100.820 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3898 ca-p2-n 66.610 89.970 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3899 ca-p2-na 66.630 89.210 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3900 ca-p2-o 64.430 106.880 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3901 ca-p2-s 80.490 107.930 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3902 c -p2-c2 62.160 97.300 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3903 c -p2-c 61.190 90.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3904 ce-p2-o 64.940 107.440 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3905 ce-p2-s 82.030 105.540 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3906 cf-p2-o 64.940 107.440 SOURCE3 1 same_as_ce-p2-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3907 cf-p2-s 82.030 105.540 SOURCE3 1 same_as_ce-p2-s
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3908 cl-p2-cl 59.120 108.700 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3909 cl-p2-n2 63.020 103.380 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3910 cl-p2-o 61.870 110.570 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3911 cl-p2-p2 64.880 103.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3912 cl-p2-s 79.650 110.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3913 f -p2-f 67.450 107.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3914 f -p2-n2 69.660 103.570 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3915 f -p2-o 70.010 110.610 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3916 f -p2-p2 68.870 103.480 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3917 f -p2-s 83.240 114.710 SOURCE3 2 5.2794
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3918 hp-p2-hp 36.510 98.760 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3919 hp-p2-n1 49.670 95.180 SOURCE3 2 1.5708
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3920 hp-p2-n2 51.270 95.540 SOURCE3 19 4.7352
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3921 hp-p2-ne 51.040 100.100 SOURCE3 14 6.1290
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3922 hp-p2-nf 51.040 100.100 SOURCE3 14 same_as_hp-p2-ne
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3923 hp-p2-o 51.210 105.580 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3924 hp-p2-p2 48.180 101.880 SOURCE3 27 12.9535
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3925 hp-p2-p4 41.290 94.510 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3926 hp-p2-p5 42.510 89.070 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3927 hp-p2-pe 47.430 97.250 SOURCE3 16 8.8916
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3928 hp-p2-pf 47.430 97.250 SOURCE3 16 same_as_hp-p2-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3929 hp-p2-s4 53.260 89.990 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3930 hp-p2-s 61.200 102.520 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3931 hp-p2-s6 54.080 88.130 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3932 i -p2-i 57.140 104.160 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3933 i -p2-n2 55.340 101.770 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3934 i -p2-o 53.280 109.510 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3935 i -p2-p2 58.360 102.630 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3936 i -p2-s 71.170 110.600 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3937 n1-p2-n1 74.350 86.220 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3938 n2-p2-n2 72.910 98.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3939 n2-p2-n3 70.540 100.420 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3940 n2-p2-n4 66.370 93.420 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3941 n2-p2-na 68.130 102.030 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3942 n2-p2-nh 69.830 101.870 SOURCE3 2 0.8491
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3943 n2-p2-no 69.740 98.120 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3944 n2-p2-o 69.560 115.340 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3945 n2-p2-oh 68.760 109.720 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3946 n2-p2-os 72.480 102.290 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3947 n2-p2-p3 62.580 99.510 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3948 n2-p2-p4 61.230 101.730 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3949 n2-p2-p5 63.780 93.680 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3950 n2-p2-s4 78.670 97.830 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3951 n2-p2-s6 78.860 98.140 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3952 n2-p2-s 85.870 112.940 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3953 n2-p2-sh 84.460 100.820 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3954 n2-p2-ss 84.230 101.760 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3955 n3-p2-n3 67.280 106.300 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3956 n3-p2-o 70.570 106.830 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3957 n3-p2-p2 70.440 100.580 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3958 n3-p2-s 87.340 105.750 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3959 n4-p2-n4 63.300 88.800 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3960 n4-p2-o 65.000 101.360 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3961 n4-p2-p2 66.570 96.530 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3962 n4-p2-s 81.040 104.980 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3963 na-p2-na 64.300 106.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3964 na-p2-o 68.270 107.460 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3965 na-p2-s 84.570 108.150 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3966 ne-p2-o 73.070 107.710 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3967 ne-p2-s 89.700 105.500 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3968 nf-p2-o 73.070 107.710 SOURCE3 1 same_as_ne-p2-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3969 nf-p2-s 89.700 105.500 SOURCE3 1 same_as_ne-p2-s
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3970 nh-p2-nh 67.650 104.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3971 nh-p2-o 69.920 108.110 SOURCE3 2 0.6773
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3972 nh-p2-p2 67.910 107.730 SOURCE3 3 3.1678
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3973 nh-p2-s 85.580 109.620 SOURCE3 2 1.7725
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3974 n -p2-n2 69.610 98.850 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3975 n -p2-o 69.470 105.080 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3976 no-p2-no 67.260 98.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3977 no-p2-o 69.400 104.870 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3978 no-p2-p2 66.610 108.570 SOURCE3 3 8.2121
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3979 no-p2-s 84.470 109.060 SOURCE3 2 5.4074
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3980 n -p2-p2 68.780 102.120 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3981 n -p2-s 83.340 112.340 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3982 oh-p2-oh 71.860 100.100 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3983 oh-p2-p2 69.090 107.820 SOURCE3 2 2.6708
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3984 oh-p2-s 87.090 109.750 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3985 o -p2-o 70.950 119.960 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3986 o -p2-oh 70.850 110.460 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3987 o -p2-os 72.860 108.810 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3988 o -p2-p2 68.910 114.230 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3989 o -p2-p3 61.190 106.690 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3990 o -p2-p4 61.150 104.370 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3991 o -p2-p5 61.090 104.490 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3992 o -p2-pe 59.000 145.960 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3993 o -p2-pf 59.000 145.960 SOURCE3 1 same_as_o-p2-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3994 o -p2-s4 76.220 106.590 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3995 o -p2-s6 77.110 105.040 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3996 o -p2-s 86.500 117.420 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3997 o -p2-sh 82.540 109.600 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3998 os-p2-os 75.140 98.300 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
3999 os-p2-p2 72.150 101.460 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4000 o -p2-ss 82.710 109.600 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4001 os-p2-s 88.770 108.470 SOURCE3 3 1.7065
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4002 p2-p2-n2 72.700 97.400 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4003 p2-p2-p3 63.950 101.730 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4004 p2-p2-p4 63.280 101.980 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4005 p2-p2-p5 64.100 99.330 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4006 p2-p2-s4 82.350 95.730 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4007 p2-p2-s6 82.540 95.950 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4008 p2-p2-s 87.130 111.280 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4009 p2-p2-sh 81.160 113.940 SOURCE3 3 8.5009
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4010 p3-p2-p3 59.740 101.000 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4011 p3-p2-s 76.850 113.280 SOURCE3 2 6.7035
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4012 p4-p2-s 79.510 103.890 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4013 p5-p2-p5 62.680 89.400 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4014 p5-p2-s 80.520 101.210 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4015 pe-p2-s 87.030 106.350 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4016 pf-p2-s 87.030 106.350 SOURCE3 1 same_as_pe-p2-s
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4017 s4-p2-s4 102.320 85.300 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4018 s6-p2-s6 95.800 98.200 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4019 sh-p2-sh 105.800 98.500 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4020 s -p2-s 113.120 106.600 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4021 s -p2-s4 99.570 105.290 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4022 s -p2-s6 99.150 106.930 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4023 s -p2-sh 104.500 110.730 SOURCE3 2 0.0232
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4024 s -p2-ss 103.090 114.140 SOURCE3 4 5.9223
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4025 ss-p2-ss 106.390 97.900 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4026 br-p3-br 65.960 103.540 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4027 br-p3-hp 43.060 96.360 SOURCE3 4 0.6701
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4028 c1-p3-c1 61.500 100.500 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4029 c1-p3-f 65.100 96.900 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4030 c1-p3-hp 44.980 97.670 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4031 c2-p3-c2 59.650 101.770 SOURCE3 3 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4032 c2-p3-hp 44.060 97.850 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4033 c3-p3-c3 59.950 99.660 SOURCE3 40 0.9854
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4034 c3-p3-ca 59.600 101.940 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4035 c3-p3-cl 61.420 99.890 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4036 c3-p3-f 63.510 97.800 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4037 c3-p3-hp 43.910 97.660 SOURCE3 9 0.4096
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4038 c3-p3-n2 63.720 96.550 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4039 c3-p3-n3 62.780 101.180 SOURCE3 10 2.2338
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4040 c3-p3-n4 61.660 96.940 SOURCE3 6 0.4815
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4041 c3-p3-n 61.970 101.770 SOURCE3 12 2.4449
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4042 c3-p3-na 62.590 100.170 SOURCE3 4 0.0554
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4043 c3-p3-nh 61.770 104.500 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4044 c3-p3-no 62.270 96.980 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4045 c3-p3-o 62.860 111.670 SOURCE3 28 5.3387
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4046 c3-p3-oh 64.890 98.210 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4047 c3-p3-os 64.330 99.530 SOURCE3 3 1.7678
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4048 c3-p3-p3 57.790 100.310 SOURCE3 18 2.1836
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4049 c3-p3-p5 57.640 100.900 SOURCE3 10 2.7070
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4050 c3-p3-s4 76.740 98.880 SOURCE3 8 6.2235
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4051 c3-p3-s6 76.100 101.180 SOURCE3 12 6.4536
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4052 c3-p3-sh 75.720 98.710 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4053 c3-p3-ss 75.730 99.370 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4054 ca-p3-ca 60.550 99.860 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4055 ca-p3-hp 44.340 97.500 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4056 c -p3-c3 60.100 97.060 SOURCE3 3 1.1490
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4057 c -p3-c 58.350 100.900 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4058 c -p3-hp 43.390 96.550 SOURCE3 6 0.5223
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4059 cl-p3-cl 62.670 102.820 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4060 cl-p3-f 63.640 99.200 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4061 cl-p3-hp 44.110 96.300 SOURCE3 3 0.6203
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4065 f -p3-hp 48.850 96.410 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4071 hp-p3-n1 49.970 92.980 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4072 hp-p3-n2 46.470 98.280 SOURCE3 10 1.8860
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4073 hp-p3-n3 48.110 94.460 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4076 hp-p3-na 46.750 97.270 SOURCE3 12 0.9318
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4077 hp-p3-nh 48.200 94.100 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4080 hp-p3-oh 49.120 95.950 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4082 hp-p3-p2 40.920 99.110 SOURCE3 16 4.3022
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4083 hp-p3-p3 40.500 95.520 SOURCE3 4 0.0844
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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marcel
parents:
diff changeset
4089 hp-p3-ss 53.780 94.610 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4090 i -p3-i 58.550 105.250 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4091 n1-p3-n1 73.380 90.440 HF/6-31G* 1
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marcel
parents:
diff changeset
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marcel
parents:
diff changeset
4093 n3-p3-n3 62.770 113.800 SOURCE3 1 0.0000
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parents:
diff changeset
4094 n3-p3-o 68.780 107.100 SOURCE3 4 0.0000
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marcel
parents:
diff changeset
4095 n3-p3-oh 68.930 98.360 SOURCE3 1
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marcel
parents:
diff changeset
4096 n4-p3-n4 61.460 100.530 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4097 na-p3-na 63.790 106.220 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4098 nh-p3-nh 64.100 109.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4099 n -p3-n 64.000 104.580 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4101 no-p3-no 63.350 98.330 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4103 o -p3-o 69.980 122.180 SOURCE3 2 7.8556
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4104 o -p3-p3 56.940 116.740 SOURCE3 14 0.7525
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4105 o -p3-p5 59.320 107.620 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4107 o -p3-s6 79.950 106.660 SOURCE3 6 3.4017
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4108 os-p3-os 67.300 106.650 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4109 p2-p3-p2 58.990 103.580 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4110 p3-p3-p3 56.870 105.310 SOURCE3 4 3.5864
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4111 p4-p3-p4 58.570 99.090 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4112 p5-p3-p5 58.650 99.100 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4122 c2-p4-o 63.010 113.590 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4123 c3-p4-c3 59.460 102.550 SOURCE3 4 0.0192
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4128 c3-p4-na 60.600 117.670 SOURCE3 5 19.0404
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4129 c3-p4-nh 62.860 102.790 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4131 c3-p4-o 61.960 116.440 SOURCE3 25 2.6494
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4133 c3-p4-os 65.800 98.010 SOURCE3 2 0.0931
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4143 cl-p4-o 61.910 116.530 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4144 hp-p4-hp 36.070 99.210 SOURCE3 4 6.4572
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4145 hp-p4-n1 48.330 99.910 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4146 hp-p4-o 50.250 109.350 SOURCE3 6 10.8284
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4147 hp-p4-p3 39.650 98.960 SOURCE3 4 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4148 hp-p4-s 49.200 110.240 SOURCE3 4 4.1081
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4149 i -p4-i 61.590 113.220 SOURCE3 2 6.7916
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4150 i -p4-o 60.270 110.220 SOURCE3 4 9.7726
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4151 n1-p4-n1 68.740 100.610 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4158 nh-p4-nh 69.560 95.300 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4159 nh-p4-o 66.920 115.860 SOURCE3 3 3.2712
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4160 n -p4-o 65.600 117.990 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4161 no-p4-o 63.000 114.690 SOURCE3 3 0.1070
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4162 oh-p4-oh 72.990 95.710 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4164 o -p4-oh 68.540 117.390 SOURCE3 4 1.0083
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4165 o -p4-os 68.880 116.670 SOURCE3 4 0.6923
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4167 o -p4-p3 57.580 114.000 SOURCE3 3 0.6663
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4168 o -p4-p4 61.640 116.430 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4175 o -p4-ss 75.800 116.140 SOURCE3 4 1.0636
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4176 p2-p4-p2 56.350 110.710 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4177 p3-p4-p3 54.380 114.980 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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diff changeset
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marcel
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4220 hp-p5-n1 49.690 101.320 HF/6-31G* 1
dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
marcel
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marcel
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marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4227 n1-p5-n1 73.170 101.550 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
4320 ca-pe-s 81.050 107.930 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
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diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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parents:
diff changeset
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diff changeset
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parents:
diff changeset
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diff changeset
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diff changeset
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diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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parents:
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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diff changeset
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diff changeset
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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parents:
diff changeset
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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dbb480e39d95 Uploaded
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diff changeset
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marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4731 hs-sh-nh 29.730 101.110 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4735 hs-sh-os 30.880 98.150 SOURCE3 3 0.1661
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4740 hs-sh-s 32.420 102.870 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4741 hs-sh-s4 33.290 92.160 SOURCE3 3 1.6519
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4742 hs-sh-s6 33.980 93.830 SOURCE3 3 1.2561
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4743 hs-sh-sh 33.890 99.070 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4744 hs-sh-ss 33.730 99.170 SOURCE3 3 0.2457
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4745 br-ss-br 41.920 102.920 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4746 br-ss-c3 39.460 99.030 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4747 c1-ss-c1 41.480 98.300 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4749 c2-ss-c2 39.870 99.560 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4752 c2-ss-n2 40.330 106.760 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
4753 c2-ss-na 40.680 100.510 SOURCE3 6 6.9702
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4754 c2-ss-os 43.660 89.760 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4755 c2-ss-ss 51.300 92.260 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4756 c3-ss-c3 37.940 99.920 SOURCE3 14 2.0723
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4757 c3-ss-ca 38.040 102.120 SOURCE4 161 1.3084
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4758 c3-ss-cc 38.610 100.850 SOURCE4 74 1.3149
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4759 c3-ss-cd 38.730 100.210 SOURCE4 13 1.3340
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4761 c3-ss-cy 38.750 94.320 SOURCE4 62 0.3646
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4762 c3-ss-f 39.670 97.490 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4763 c3-ss-i 35.060 100.000 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4764 c3-ss-n1 41.250 98.440 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4765 c3-ss-n2 41.260 96.420 SOURCE3 5 1.3604
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4766 c3-ss-n3 40.110 98.830 SOURCE3 3 0.2909
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4767 c3-ss-n 39.860 100.300 SOURCE3 4 0.6579
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4768 c3-ss-n4 39.380 97.790 SOURCE3 3 0.2002
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4769 c3-ss-na 39.740 100.140 SOURCE3 12 1.7415
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4770 c3-ss-nh 39.890 100.630 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4771 c3-ss-no 39.050 98.620 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4772 c3-ss-o 40.460 106.600 SOURCE3 2 1.6714
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4774 c3-ss-os 40.650 98.210 SOURCE3 4 1.7097
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4775 c3-ss-p2 39.660 98.410 SOURCE3 8 0.9454
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4787 ca-ss-cl 37.980 101.050 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4791 ca-ss-nd 43.300 94.760 SOURCE3 1 same_as_ca-ss-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4792 ca-ss-ss 47.820 104.900 SOURCE4 19 0.8743
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4793 c -ss-c2 41.060 92.430 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4796 c -ss-cc 41.050 92.430 SOURCE4 14 2.3600
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4797 cc-ss-cc 41.930 89.910 SOURCE3 11 2.2164
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4798 cc-ss-cd 41.970 89.740 SOURCE4 49 0.7509
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4799 cc-ss-n 41.560 97.160 SOURCE3 1 same_as_cd-ss-n
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4800 cc-ss-na 40.910 99.330 SOURCE3 18 same_as_cd-ss-na
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4802 cc-ss-os 41.600 98.810 SOURCE3 2 2.1583
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4803 cc-ss-ss 48.670 102.460 SOURCE3 2 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4804 cd-ss-cd 41.930 89.910 SOURCE3 11 2.2164
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4805 cd-ss-n 41.560 97.160 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4806 cd-ss-na 40.910 99.330 SOURCE3 18 2.5847
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4807 cd-ss-nd 43.630 95.660 SOURCE3 3 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4808 cd-ss-os 41.600 98.810 SOURCE3 2 same_as_cc-ss-os
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4809 cd-ss-ss 50.980 93.360 SOURCE4 11 0.3795
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4811 cx-ss-cx 54.740 48.300 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4814 i -ss-i 36.380 106.290 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4815 n1-ss-n1 45.720 96.960 HF/6-31G* 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4816 n2-ss-n2 44.500 96.750 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4817 n3-ss-n3 41.610 102.340 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4818 n4-ss-n4 39.760 101.190 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4819 na-ss-na 41.250 102.810 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4820 nc-ss-nc 46.990 97.750 SOURCE4 8 0.3345
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4821 nd-ss-nd 46.580 99.500 SOURCE2 1 same_as_nc-ss-nc
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4822 nh-ss-nh 40.860 107.890 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4823 n -ss-n 41.570 103.100 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4824 no-ss-no 38.430 106.430 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4825 oh-ss-oh 42.690 104.250 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4826 o -ss-o 43.680 119.300 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4827 o -ss-p5 38.880 106.410 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4828 o -ss-s6 49.380 105.390 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4829 os-ss-os 42.400 102.990 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4830 o -ss-ss 49.130 112.700 SOURCE2 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4831 p2-ss-p2 41.220 99.520 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4844 c3-sx-cf 39.300 94.950 SOURCE3 3 same_as_c3-sx-ce
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4846 c3-sx-nf 40.880 90.060 SOURCE3 5 same_as_c3-sx-ne
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
marcel
parents:
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
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parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4887 c3-sy-pf 35.490 106.030 SOURCE3 6 same_as_c3-sy-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
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dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4893 ca-sy-cc 37.720 105.090 SOURCE4 5 0.3628
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4894 ca-sy-n3 40.110 102.480 SOURCE4 180 1.0802
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4895 ca-sy-n 39.350 105.450 SOURCE4 51 1.1497
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4896 ca-sy-ne 39.330 103.470 SOURCE4 11 1.6071
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4897 ca-sy-nh 39.330 105.590 SOURCE4 78 1.5805
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4898 ca-sy-o 41.200 108.730 SOURCE3 26 1.2638
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4899 ca-sy-oh 41.070 101.250 SOURCE4 23 0.9100
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4900 ca-sy-os 42.320 92.980 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4901 c -sy-c3 37.600 101.250 SOURCE3 3 1.1850
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4902 c -sy-c 37.060 99.810 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4903 cc-sy-n3 40.090 102.390 SOURCE4 17 0.6395
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4904 cc-sy-o 41.420 107.270 SOURCE4 62 0.9782
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4905 cd-sy-n3 40.140 102.730 SOURCE4 13 0.5722
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4906 cd-sy-nh 41.070 97.200 SOURCE4 6 0.2429
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4907 cd-sy-o 41.360 108.420 SOURCE4 38 0.6229
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4908 ce-sy-ce 38.220 102.780 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4909 ce-sy-o 41.510 107.250 SOURCE3 10 0.5477
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4910 cf-sy-cf 38.220 102.780 SOURCE3 1 same_as_ce-sy-ce
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4911 cf-sy-o 41.510 107.250 SOURCE3 10 same_as_ce-sy-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4912 c -sy-o 40.090 107.230 SOURCE3 10 0.8425
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4913 f -sy-o 45.090 105.600 SOURCE4 7 0.2000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4914 n2-sy-o 43.410 123.530 SOURCE4 6 1.2388
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4915 n3-sy-ne 41.520 102.400 SOURCE4 5 1.3390
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4916 n3-sy-o 44.080 107.110 SOURCE4 375 1.1257
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4917 na-sy-na 42.390 98.040 SOURCE3 1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4918 nc-sy-nc 47.080 98.040 SOURCE3 2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4919 nd-sy-nd 47.080 98.040 SOURCE3 2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4920 ne-sy-ne 41.660 98.620 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4921 ne-sy-o 43.100 107.060 SOURCE3 14 2.2705
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4922 nf-sy-nf 41.660 98.620 SOURCE3 1 same_as_ne-sy-ne
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4923 nf-sy-o 43.100 107.060 SOURCE3 14 same_as_ne-sy-o
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4924 nh-sy-o 43.910 106.380 SOURCE4 123 1.6517
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4925 n -sy-o 43.660 107.500 SOURCE4 61 1.8720
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4926 o -sy-o 45.300 121.880 SOURCE3 46 0.9495
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4927 o -sy-oh 45.210 106.930 SOURCE3 8 0.7424
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4928 o -sy-os 44.040 108.310 SOURCE4 7 0.1222
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4929 o -sy-pe 37.280 106.900 SOURCE3 12 1.4524
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4930 o -sy-pf 37.280 106.900 SOURCE3 12 same_as_o-sy-pe
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4931 o -sy-px 36.810 106.170 SOURCE3 6 0.7059
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4932 o -sy-py 37.840 106.670 SOURCE3 10 0.6478
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4933 o -sy-sx 46.420 106.330 SOURCE3 10 2.0456
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4934 o -sy-sy 46.560 106.190 SOURCE3 12 0.1754
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4935 py-sy-py 36.250 104.490 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4936 sx-sy-sx 56.860 101.990 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4937 sy-sy-sy 56.630 103.290 SOURCE3 1 0.0000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4938
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4939 X -c -c -X 4 1.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4940 X -c -c1-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4941 X -c -cg-X 2 0.000 180.000 2.000 same as X-c-c1-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4942 X -c -ch-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4943 X -c -c2-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4944 X -c -cu-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4945 X -c -cv-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4946 X -c -ce-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4947 X -c -cf-X 4 8.700 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4948 X -c -c3-X 6 0.000 180.000 2.000 JCC, 7, (1986), 230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4949 X -c -cx-X 6 0.000 180.000 2.000 JCC, 7, (1986), 230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4950 X -c -cy-X 6 0.000 180.000 2.000 JCC, 7, (1986), 230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4951 X -c -ca-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4952 X -c -cc-X 4 11.500 180.000 2.000 statistic value
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4953 X -c -cd-X 4 11.500 180.000 2.000 statistic value
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4954 X -c -n -X 4 10.000 180.000 2.000 AA,NMA (no c-n3, c-n4, c-nh)
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4955 X -c -n2-X 2 8.300 180.000 2.000 double bond, same as X-c2-n2-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4956 X -c -nc-X 2 8.00 180.000 2.000 same as X-C-NC-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4957 X -c -nd-X 2 8.00 180.000 2.000 same as X-C-NC-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4958 X -c -ne-X 2 0.400 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4959 X -c -nf-X 2 0.400 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4960 X -c -na-X 4 5.800 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4961 X -c -na-X 4 1.400 180.000 4.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4962 X -c -no-X 4 1.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4963 X -c -oh-X 2 4.600 180.000 2.000 Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4964 X -c -os-X 2 5.400 180.000 2.000 Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4965 X -c -p2-X 2 13.300 180.000 2.000 double bond, same as X-c2-p2-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4966 X -c -pc-X 2 4.000 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4967 X -c -pd-X 2 4.000 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4968 X -c -pe-X 2 0.000 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4969 X -c -pf-X 2 0.000 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4970 X -c -p3-X 4 6.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4971 X -c -p4-X 4 5.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4972 X -c -px-X 4 5.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4973 X -c -p5-X 4 4.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4974 X -c -py-X 4 4.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4975 X -c -sh-X 2 4.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4976 X -c -ss-X 2 6.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4977 X -c -s4-X 4 0.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4978 X -c -sx-X 4 0.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4979 X -c -s6-X 6 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4980 X -c -sy-X 6 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4981 X -c1-c1-X 1 0.000 180.000 2.000 for both triple and single bonds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4982 X -c1-cg-X 1 0.000 180.000 2.000 for both triple and single bonds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4983 X -c1-ch-X 1 0.000 180.000 2.000 for both triple and single bonds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4984 X -cg-cg-X 1 0.000 180.000 2.000 for both triple and single bonds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4985 X -ch-ch-X 1 0.000 180.000 2.000 for both triple and single bonds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4986 X -cg-ch-X 1 0.000 180.000 2.000 for both triple and single bonds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4987 X -c1-c2-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4988 X -c1-c3-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4989 X -c1-ca-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4990 X -c1-cb-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4991 X -c1-cc-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4992 X -c1-cd-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4993 X -c1-ce-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4994 X -c1-cf-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4995 X -c1-cu-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4996 X -c1-cv-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4997 X -c1-cx-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4998 X -c1-cy-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
4999 X -c1-n -X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5000 X -c1-n2-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5001 X -c1-n3-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5002 X -c1-n4-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5003 X -c1-na-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5004 X -c1-nb-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5005 X -c1-nc-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5006 X -c1-nd-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5007 X -c1-ne-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5008 X -c1-nf-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5009 X -c1-nh-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5010 X -c1-no-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5011 X -c1-oh-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5012 X -c1-os-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5013 X -c1-p2-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5014 X -c1-pb-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5015 X -c1-pc-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5016 X -c1-pd-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5017 X -c1-pe-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5018 X -c1-pf-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5019 X -c1-p3-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5020 X -c1-p4-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5021 X -c1-px-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5022 X -c1-p5-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5023 X -c1-py-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5024 X -c1-s2-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5025 X -c1-sh-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5026 X -c1-ss-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5027 X -c1-s4-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5028 X -c1-sx-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5029 X -c1-s6-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5030 X -c1-sy-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5031 X -c2-c2-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5032 X -c2-ce-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5033 X -c2-cf-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5034 X -ce-cf-X 4 26.600 180.000 2.000 c2=c2 double bond, intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5035 X -ce-ce-X 4 4.000 180.000 2.000 c2-c2 single bond, parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5036 X -cf-cf-X 4 4.000 180.000 2.000 c2-c2 single bond, parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5037 X -cc-cd-X 4 16.000 180.000 2.000 statistic value of parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5038 X -cc-cc-X 4 16.000 180.000 2.000 statistic value of parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5039 X -cd-cd-X 4 16.000 180.000 2.000 statistic value of parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5040 X -c2-c3-X 6 0.000 0.000 2.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5041 X -c2-ca-X 4 10.200 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5042 X -c2-n -X 4 2.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5043 X -c2-n2-X 2 8.300 180.000 2.000 double bond, parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5044 X -c2-ne-X 2 8.300 180.000 2.000 double bond, parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5045 X -c2-nf-X 2 8.300 180.000 2.000 double bond, parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5046 X -ce-ne-X 2 1.600 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5047 X -cf-nf-X 2 1.600 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5048 X -c2-nc-X 2 9.500 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5049 X -c2-nd-X 2 9.500 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5050 X -cc-nd-X 2 9.500 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5051 X -cd-nc-X 2 9.500 180.000 2.000 statistiv value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5052 X -cc-nc-X 2 9.500 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5053 X -cd-nd-X 2 9.500 180.000 2.000 statistiv value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5054 X -c2-n3-X 4 1.200 180.000 2.000 intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5055 X -c2-n4-X 6 0.000 180.000 3.000 intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5056 X -c2-na-X 4 2.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5057 X -cc-na-X 4 6.800 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5058 X -cd-na-X 4 6.800 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5059 X -c2-nh-X 4 2.700 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5060 X -c2-no-X 4 3.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5061 X -c2-oh-X 2 2.100 180.000 2.000 parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5062 X -c2-os-X 2 2.100 180.000 2.000 parm99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5063 X -c2-p2-X 2 13.300 180.000 2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5064 X -c2-pe-X 2 13.300 180.000 2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5065 X -c2-pf-X 2 13.300 180.000 2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5066 X -ce-pf-X 2 13.300 180.000 2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5067 X -ce-pe-X 2 1.900 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5068 X -cf-pf-X 2 1.900 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5069 X -c2-pc-X 2 9.500 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5070 X -c2-pd-X 2 9.500 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5071 X -cc-pc-X 2 9.500 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5072 X -cc-pd-X 2 9.500 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5073 X -cd-pc-X 2 9.500 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5074 X -cd-pd-X 2 9.500 180.000 2.000 estimated
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5075 X -c2-p3-X 4 1.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5076 X -c2-p4-X 4 26.600 180.000 2.000 c2=p4 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5077 X -ce-p4-X 4 26.600 180.000 2.000 c2=p4 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5078 X -cf-p4-X 4 26.600 180.000 2.000 c2=p4 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5079 X -c2-px-X 4 1.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5080 X -ce-px-X 4 1.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5081 X -cf-px-X 4 1.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5082 X -c2-p5-X 6 39.900 180.000 2.000 c2=p5 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5083 X -ce-p5-X 6 39.900 180.000 2.000 c2=p5 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5084 X -cf-p5-X 6 39.900 180.000 2.000 c2=p5 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5085 X -c2-py-X 6 8.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5086 X -ce-py-X 6 8.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5087 X -cf-py-X 6 8.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5088 X -c2-sh-X 2 1.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5089 X -c2-ss-X 2 2.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5090 X -c2-s4-X 4 26.600 180.000 2.000 c2=s4 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5091 X -ce-s4-X 4 26.600 180.000 2.000 c2=s4 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5092 X -cf-s4-X 4 26.600 180.000 2.000 c2=s4 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5093 X -c2-sx-X 4 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5094 X -ce-sx-X 4 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5095 X -cf-sx-X 4 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5096 X -c2-s6-X 6 39.900 180.000 2.000 c2=s6 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5097 X -ce-s6-X 6 39.900 180.000 2.000 c2=s6 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5098 X -cf-s6-X 6 39.900 180.000 2.000 c2=s6 double bond !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5099 X -c2-sy-X 6 7.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5100 X -ce-sy-X 6 7.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5101 X -cf-sy-X 6 7.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5102 X -c3-c3-X 9 1.400 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5103 X -cx-cx-X 9 1.400 0.000 3.000 same as X-c3-c3-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5104 X -cy-cy-X 9 1.400 0.000 3.000 same as X-c3-c3-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5105 X -c3-ca-X 6 0.000 0.000 2.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5106 X -c3-n -X 6 0.000 0.000 2.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5107 X -cx-n -X 6 0.000 0.000 2.000 same as X-c3-n-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5108 X -cy-n -X 6 0.000 0.000 2.000 same as X-c3-n-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5109 X -c3-n2-X 6 0.000 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5110 X -c3-ne-X 6 0.000 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5111 X -c3-nf-X 6 0.000 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5112 X -c3-n3-X 6 1.800 0.000 3.000 Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5113 X -c3-n4-X 9 1.400 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5114 X -c3-na-X 6 0.000 0.000 2.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5115 X -c3-nh-X 6 0.000 0.000 2.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5116 X -c3-no-X 6 0.000 0.000 2.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5117 X -c3-oh-X 3 0.500 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5118 X -c3-os-X 3 1.150 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5119 X -c3-p2-X 3 0.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5120 X -c3-pe-X 3 0.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5121 X -c3-pf-X 3 0.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5122 X -c3-p3-X 6 0.800 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5123 X -c3-p4-X 6 0.800 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5124 X -c3-px-X 6 0.800 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5125 X -c3-p5-X 9 0.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5126 X -c3-py-X 9 0.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5127 X -c3-sh-X 3 0.750 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5128 X -c3-ss-X 3 1.000 0.000 3.000 JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5129 X -c3-s4-X 6 1.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5130 X -c3-sx-X 6 1.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5131 X -c3-s6-X 9 1.300 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5132 X -c3-sy-X 9 1.300 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5133 X -c3-cc-X 6 0.000 0.000 3.000 same as X-c3-ca-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5134 X -c3-cd-X 6 0.000 0.000 3.000 same as X-c3-ca-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5135 X -ca-ca-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5136 X -ca-cp-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5137 X -ca-cq-X 4 14.500 180.000 2.000 intrpol.bsd.on C6H6
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5138 X -cp-cp-X 4 4.000 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5139 X -cq-cq-X 4 4.000 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5140 X -ca-n -X 4 1.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5141 X -ca-n2-X 2 0.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5142 X -ca-ne-X 2 0.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5143 X -ca-nf-X 2 0.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5144 X -ca-n4-X 4 7.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5145 X -ca-na-X 4 1.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5146 X -ca-nb-X 2 9.60 180.0 2.000 same as X-CA-NC-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5147 X -ca-nc-X 2 9.60 180.0 2.000 same as X-CA-NC-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5148 X -ca-nd-X 2 9.60 180.0 2.000 same as X-CA-NC-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5149 X -ca-nh-X 4 4.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5150 X -cc-nh-X 4 4.200 180.000 2.000 same as X-ca-nh-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5151 X -cd-nh-X 4 4.200 180.000 2.000 same as X-ca-nh-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5152 X -ca-no-X 4 2.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5153 X -ca-oh-X 2 1.800 180.000 2.000 Junmei et al, 99
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5154 X -ca-os-X 2 1.800 180.000 2.000 same as X-ca-oh-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5155 X -ca-p2-X 2 1.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5156 X -ca-pe-X 2 1.200 180.000 2.000 same as X-ca-p2-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5157 X -ca-pf-X 2 1.200 180.000 2.000 same as X-ca-p2-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5158 X -ca-pc-X 2 9.600 180.000 2.000 estimated, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5159 X -ca-pd-X 2 9.600 180.000 2.000 estimated, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5160 X -ca-p3-X 4 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5161 X -ca-p4-X 4 2.100 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5162 X -ca-px-X 4 2.100 180.000 2.000 estimated, same as X-ca-p4-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5163 X -ca-p5-X 6 8.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5164 X -ca-py-X 6 8.800 180.000 2.000 estimated, same as X-ca-p5-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5165 X -ca-sh-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5166 X -ca-ss-X 2 0.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5167 X -ca-s4-X 4 1.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5168 X -ca-sx-X 4 1.200 0.000 2.000 estimated, same as X-ca-s4-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5169 X -ca-s6-X 6 7.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5170 X -ca-sy-X 6 7.800 180.000 2.000 estimated, same as X-ca-s6-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5171 X -n -cc-X 4 6.600 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5172 X -n -cd-X 4 6.600 180.000 2.000 statistic value from parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5173 X -n -n -X 4 4.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5174 X -n -n2-X 2 0.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5175 X -n -ne-X 2 0.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5176 X -n -nf-X 2 0.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5177 X -n -n3-X 4 4.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5178 X -n -n4-X 4 3.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5179 X -n -na-X 4 2.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5180 X -n -nc-X 2 9.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5181 X -n -nd-X 2 9.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5182 X -n -nh-X 4 4.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5183 X -n -no-X 4 5.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5184 X -n -oh-X 2 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5185 X -n -os-X 2 2.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5186 X -n -p2-X 2 2.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5187 X -n -pe-X 2 2.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5188 X -n -pf-X 2 9.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5189 X -n -pc-X 2 9.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5190 X -n -pd-X 2 2.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5191 X -n -p3-X 4 9.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5192 X -n -p4-X 4 1.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5193 X -n -px-X 4 1.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5194 X -n -p5-X 6 13.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5195 X -n -py-X 6 13.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5196 X -n -sh-X 2 2.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5197 X -n -ss-X 2 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5198 X -n -s4-X 4 6.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5199 X -n -sx-X 4 6.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5200 X -n -s6-X 6 6.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5201 X -n -sy-X 6 6.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5202 X -n1-c2-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5203 X -n1-c3-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5204 X -n1-ca-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5205 X -n1-cb-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5206 X -n1-cc-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5207 X -n1-cd-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5208 X -n1-ce-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5209 X -n1-cf-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5210 X -n1-cu-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5211 X -n1-cv-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5212 X -n1-cx-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5213 X -n1-cy-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5214 X -n1-n -X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5215 X -n1-n1-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5216 X -n1-n2-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5217 X -n1-n3-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5218 X -n1-n4-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5219 X -n1-na-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5220 X -n1-nb-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5221 X -n1-nc-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5222 X -n1-nd-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5223 X -n1-ne-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5224 X -n1-nf-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5225 X -n1-nh-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5226 X -n1-no-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5227 X -n1-oh-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5228 X -n1-os-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5229 X -n1-p2-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5230 X -n1-pb-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5231 X -n1-pc-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5232 X -n1-pd-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5233 X -n1-pe-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5234 X -n1-pf-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5235 X -n1-p3-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5236 X -n1-p4-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5237 X -n1-px-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5238 X -n1-p5-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5239 X -n1-py-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5240 X -n1-s2-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5241 X -n1-sh-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5242 X -n1-ss-X 1 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5243 X -n1-s4-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5244 X -n1-sx-X 2 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5245 X -n1-s6-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5246 X -n1-sy-X 3 0.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5247 X -n2-n2-X 1 3.000 180.000 -2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5248 X -n2-n2-X 1 2.800 0.000 1.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5249 X -n2-ne-X 1 3.000 180.000 -2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5250 X -n2-ne-X 1 2.800 0.000 1.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5251 X -n2-nf-X 1 3.000 180.000 -2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5252 X -n2-nf-X 1 2.800 0.000 1.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5253 X -ne-nf-X 1 3.000 180.000 -2.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5254 X -ne-nf-X 1 2.800 0.000 1.000 double bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5255 X -ne-ne-X 1 1.200 180.000 2.000 single bond, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5256 X -nf-nf-X 1 1.200 180.000 2.000 single bond, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5257 X -nc-nc-X 1 4.000 180.000 2.000 estimated, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5258 X -nd-nd-X 1 4.000 180.000 2.000 estimated, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5259 X -nc-nd-X 1 4.000 180.000 2.000 estimated, intrpol
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5260 X -n2-nc-X 1 3.000 180.000 -2.000 same as X-n2-n2-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5261 X -n2-nc-X 1 2.800 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5262 X -n2-nd-X 1 3.000 180.000 -2.000 same as X-n2-n2-X
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5263 X -n2-nd-X 1 2.800 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5264 X -n2-n3-X 2 12.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5265 X -ne-n3-X 2 12.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5266 X -nf-n3-X 2 12.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5267 X -n2-n4-X 3 24.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5268 X -ne-n4-X 3 24.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5269 X -nf-n4-X 3 24.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5270 X -n2-na-X 2 3.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5271 X -ne-na-X 2 3.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5272 X -nf-na-X 2 3.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5273 X -na-nc-X 2 9.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5274 X -na-nd-X 2 9.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5275 X -n2-nh-X 2 5.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5276 X -ne-nh-X 2 5.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5277 X -nf-nh-X 2 5.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5278 X -n2-no-X 2 1.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5279 X -ne-no-X 2 1.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5280 X -nf-no-X 2 1.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5281 X -n2-oh-X 1 3.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5282 X -ne-oh-X 1 3.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5283 X -nf-oh-X 1 3.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5284 X -n2-os-X 1 3.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5285 X -ne-os-X 1 3.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5286 X -nf-os-X 1 3.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5287 X -nc-os-X 1 4.800 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5288 X -nc-ss-X 1 4.800 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5289 X -n2-p2-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5290 X -n2-pe-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5291 X -n2-pf-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5292 X -ne-pf-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5293 X -n2-pc-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5294 X -n2-pd-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5295 X -nc-p2-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5296 X -nd-p2-X 1 5.400 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5297 X -nc-pc-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5298 X -nd-pd-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5299 X -nd-pc-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5300 X -nc-pd-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5301 X -ne-pe-X 1 0.600 0.000 1.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5302 X -nf-pf-X 1 0.600 0.000 1.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5303 X -n2-p3-X 2 4.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5304 X -n2-p4-X 2 13.300 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5305 X -ne-p4-X 2 13.300 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5306 X -nf-p4-X 2 13.300 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5307 X -n2-p5-X 3 20.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5308 X -ne-p5-X 3 3.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5309 X -nf-p5-X 3 3.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5310 X -ne-px-X 3 3.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5311 X -nf-px-X 3 3.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5312 X -n2-sh-X 1 2.100 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5313 X -ne-sh-X 1 2.100 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5314 X -nf-sh-X 1 2.100 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5315 X -n2-ss-X 1 2.800 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5316 X -n2-ss-X 1 1.300 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5317 X -ne-ss-X 1 2.800 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5318 X -ne-ss-X 1 1.300 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5319 X -nf-ss-X 1 2.800 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5320 X -nf-ss-X 1 1.300 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5321 X -n2-s4-X 2 13.300 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5322 X -ne-sx-X 2 3.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5323 X -nf-sx-X 2 3.000 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5324 X -n2-s6-X 3 20.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5325 X -ne-sy-X 3 1.500 180.000 -3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5326 X -ne-sy-X 3 20.400 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5327 X -nf-sy-X 3 1.500 180.000 -3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5328 X -nf-sy-X 3 20.400 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5329 X -n3-n3-X 4 9.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5330 X -n3-n4-X 6 1.500 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5331 X -n3-na-X 4 6.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5332 X -n3-nh-X 4 7.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5333 X -n3-no-X 4 16.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5334 X -n3-oh-X 1 2.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5335 X -n3-os-X 1 1.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5336 X -n3-p2-X 2 6.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5337 X -n3-pe-X 2 6.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5338 X -n3-pf-X 2 6.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5339 X -n3-p3-X 4 9.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5340 X -n3-p4-X 4 8.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5341 X -n3-px-X 4 8.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5342 X -n3-p5-X 6 18.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5343 X -n3-py-X 6 18.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5344 X -n3-sh-X 1 3.100 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5345 X -n3-ss-X 1 2.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5346 X -n3-s4-X 4 15.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5347 X -n3-sx-X 4 15.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5348 X -n3-s6-X 6 18.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5349 X -n3-sy-X 6 18.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5350 X -n4-n4-X 9 1.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5351 X -n4-na-X 6 1.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5352 X -n4-nh-X 6 1.100 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5353 X -n4-no-X 6 0.500 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5354 X -n4-oh-X 3 1.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5355 X -n4-os-X 3 1.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5356 X -n4-p2-X 3 0.500 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5357 X -n4-pe-X 3 0.500 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5358 X -n4-pf-X 3 0.500 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5359 X -n4-p3-X 6 0.900 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5360 X -n4-p4-X 4 0.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5361 X -n4-px-X 4 0.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5362 X -n4-p5-X 9 0.800 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5363 X -n4-py-X 9 0.800 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5364 X -n4-sh-X 3 2.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5365 X -n4-ss-X 3 1.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5366 X -n4-s4-X 6 1.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5367 X -n4-sx-X 6 1.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5368 X -n4-s6-X 9 1.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5369 X -n4-sy-X 9 1.200 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5370 X -na-na-X 4 3.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5371 X -na-nh-X 4 4.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5372 X -na-no-X 4 24.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5373 X -na-oh-X 2 2.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5374 X -na-os-X 2 1.300 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5375 X -na-p2-X 1 1.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5376 X -na-pe-X 1 1.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5377 X -na-pf-X 1 1.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5378 X -na-p3-X 4 5.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5379 X -na-p4-X 4 4.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5380 X -na-px-X 4 4.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5381 X -na-p5-X 6 5.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5382 X -na-py-X 6 5.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5383 X -na-sh-X 2 3.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5384 X -na-ss-X 2 15.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5385 X -na-s4-X 4 4.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5386 X -na-sx-X 4 4.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5387 X -na-s6-X 6 22.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5388 X -na-sy-X 6 22.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5389 X -nh-nh-X 4 7.200 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5390 X -nh-no-X 4 10.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5391 X -nh-oh-X 2 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5392 X -nh-os-X 2 3.000 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5393 X -nh-p2-X 2 2.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5394 X -nh-pe-X 2 2.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5395 X -nh-pf-X 2 2.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5396 X -nh-p3-X 4 9.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5397 X -nh-p4-X 4 4.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5398 X -nh-px-X 4 4.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5399 X -nh-p5-X 6 4.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5400 X -nh-py-X 6 4.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5401 X -nh-sh-X 2 3.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5402 X -nh-ss-X 2 4.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5403 X -nh-s4-X 4 3.000 0.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5404 X -nh-s4-X 4 0.400 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5405 X -nh-sx-X 4 3.000 0.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5406 X -nh-sx-X 4 0.400 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5407 X -nh-s6-X 6 0.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5408 X -nh-sy-X 6 0.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5409 X -no-no-X 4 1.600 180.000 -4.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5410 X -no-no-X 4 7.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5411 X -no-oh-X 2 7.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5412 X -no-os-X 2 6.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5413 X -no-p2-X 1 0.300 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5414 X -no-pe-X 1 0.300 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5415 X -no-pf-X 1 0.300 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5416 X -no-p3-X 4 7.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5417 X -no-p4-X 4 2.300 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5418 X -no-px-X 4 2.300 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5419 X -no-p5-X 6 14.400 0.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5420 X -no-p5-X 6 2.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5421 X -no-py-X 6 14.400 0.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5422 X -no-py-X 6 2.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5423 X -no-sh-X 2 4.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5424 X -no-ss-X 2 5.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5425 X -no-s4-X 4 10.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5426 X -no-sx-X 4 10.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5427 X -no-s6-X 6 2.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5428 X -no-sy-X 6 2.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5429 X -oh-oh-X 1 1.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5430 X -oh-os-X 1 1.600 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5431 X -oh-p2-X 1 1.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5432 X -oh-pe-X 1 1.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5433 X -oh-pf-X 1 1.500 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5434 X -oh-p3-X 2 0.800 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5435 X -oh-p4-X 2 1.400 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5436 X -oh-px-X 2 1.400 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5437 X -oh-p5-X 3 1.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5438 X -oh-py-X 3 1.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5439 X -oh-sh-X 1 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5440 X -oh-ss-X 1 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5441 X -oh-s4-X 2 10.000 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5442 X -oh-sx-X 2 10.000 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5443 X -oh-s6-X 3 28.500 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5444 X -oh-sy-X 3 28.500 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5445 X -os-os-X 1 1.000 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5446 X -os-ss-X 1 2.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5447 X -os-sh-X 1 1.800 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5448 X -os-s4-X 2 3.300 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5449 X -os-sx-X 2 3.300 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5450 X -os-s6-X 3 3.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5451 X -os-sy-X 3 3.600 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5452 X -os-p2-X 1 3.000 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5453 X -os-p2-X 1 2.000 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5454 X -os-pe-X 1 3.000 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5455 X -os-pe-X 1 2.000 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5456 X -os-pf-X 1 3.000 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5457 X -os-pf-X 1 2.000 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5458 X -os-p3-X 2 4.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5459 X -os-p4-X 2 2.100 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5460 X -os-px-X 2 2.100 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5461 X -os-p5-X 3 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5462 X -os-py-X 3 2.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5463 X -p2-p2-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5464 X -p2-pe-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5465 X -p2-pf-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5466 X -p2-pc-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5467 X -p2-pd-X 1 6.600 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5468 X -pe-pe-X 1 1.200 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5469 X -pf-pf-X 1 1.200 180.000 2.000 single bond
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5470 X -pc-pc-X 1 7.200 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5471 X -pd-pd-X 1 7.200 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5472 X -pc-pd-X 1 7.200 180.000 2.000 estimated, intrpol.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5473 X -p2-p3-X 2 2.400 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5474 X -pe-p3-X 2 2.400 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5475 X -pf-p3-X 2 2.400 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5476 X -p2-p4-X 2 13.300 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5477 X -pe-px-X 2 4.900 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5478 X -pf-px-X 2 4.900 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5479 X -p2-p5-X 3 20.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5480 X -pe-py-X 3 5.700 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5481 X -pf-py-X 3 5.700 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5482 X -p2-sh-X 1 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5483 X -pe-sh-X 1 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5484 X -pf-sh-X 1 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5485 X -p2-ss-X 1 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5486 X -pe-ss-X 1 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5487 X -pf-ss-X 1 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5488 X -p2-s4-X 2 13.300 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5489 X -pe-sx-X 2 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5490 X -pf-sx-X 2 3.000 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5491 X -p2-s6-X 3 20.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5492 X -pe-sy-X 3 1.200 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5493 X -pf-sy-X 3 1.200 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5494 X -p3-p3-X 4 2.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5495 X -p3-p4-X 4 3.600 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5496 X -p3-px-X 4 3.600 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5497 X -p3-p5-X 6 11.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5498 X -p3-py-X 6 11.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5499 X -p3-sh-X 2 9.200 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5500 X -p3-ss-X 2 2.300 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5501 X -p3-s4-X 4 15.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5502 X -p3-sx-X 4 15.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5503 X -p3-s6-X 6 1.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5504 X -p3-sy-X 6 1.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5505 X -p4-p4-X 4 26.600 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5506 X -px-px-X 4 5.800 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5507 X -p4-p5-X 6 39.900 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5508 X -px-py-X 6 1.900 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5509 X -p4-s4-X 4 26.600 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5510 X -px-sx-X 4 3.400 0.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5511 X -p4-s6-X 6 39.900 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5512 X -px-sy-X 6 0.700 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5513 X -p4-sh-X 2 0.500 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5514 X -px-sh-X 2 0.500 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5515 X -p4-ss-X 2 1.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5516 X -px-ss-X 2 1.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5517 X -p5-p5-X 9 60.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5518 X -py-py-X 9 5.400 0.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5519 X -p5-sh-X 3 0.900 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5520 X -py-sh-X 3 0.900 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5521 X -p5-ss-X 3 11.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5522 X -py-ss-X 3 11.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5523 X -p5-s4-X 6 40.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5524 X -py-sx-X 6 1.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5525 X -p5-s6-X 9 60.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5526 X -py-sy-X 9 2.500 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5527 X -sh-sh-X 1 5.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5528 X -sh-ss-X 1 5.300 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5529 X -sh-s4-X 2 1.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5530 X -sh-sx-X 2 1.400 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5531 X -sh-s6-X 3 14.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5532 X -sh-sy-X 3 14.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5533 X -ss-ss-X 1 0.000 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5534 X -ss-s4-X 2 0.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5535 X -ss-sx-X 2 0.600 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5536 X -ss-s6-X 3 9.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5537 X -ss-sy-X 3 9.200 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5538 X -s4-s4-X 4 26.600 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5539 X -sx-sx-X 4 2.500 0.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5540 X -s4-s6-X 6 40.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5541 X -sx-sy-X 6 26.000 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5542 X -s6-s6-X 9 60.000 180.000 2.000 estimated !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5543 X -sy-sy-X 9 1.400 180.000 2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5544 c3-c -sh-hs 1 2.250 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5545 c3-c -sh-hs 1 1.300 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5546 c2-c2-ss-c3 1 1.100 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5547 c2-c2-ss-c3 1 0.700 180.000 3.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5548 c2-c2-n -c 1 0.650 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5549 c2-c2-n -c 1 1.200 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5550 c -n -p2-c2 1 1.000 180.000 -2.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5551 c -n -p2-c2 1 1.900 180.000 1.000
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5552 n -c3-c -n 1 1.700 180.000 -1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5553 n -c3-c -n 1 2.000 180.000 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5554 c -n -c3-c 1 0.850 180.000 -2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5555 c -n -c3-c 1 0.800 0.000 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5556 c3-c3-n -c 1 0.50 180.0 -4. phi,psi,parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5557 c3-c3-n -c 1 0.15 180.0 -3. phi,psi,parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5558 c3-c3-n -c 1 0.53 0.0 1. phi,psi,parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5559 c3-c3-c -n 1 0.100 0.0 -4. phi,psi,parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5560 c3-c3-c -n 1 0.07 0.0 2. phi,psi,parm94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5561 c2-ne-p5-o 1 0.00 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5562 c2-ne-p5-o 1 2.30 0.0 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5563 c2-nf-p5-o 1 0.00 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5564 c2-nf-p5-o 1 2.30 0.0 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5565 ce-ne-p5-o 1 0.00 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5566 ce-ne-p5-o 1 2.30 0.0 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5567 ce-nf-p5-o 1 0.00 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5568 ce-nf-p5-o 1 2.30 0.0 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5569 cf-ne-p5-o 1 0.00 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5570 cf-ne-p5-o 1 2.30 0.0 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5571 cf-nf-p5-o 1 0.00 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5572 cf-nf-p5-o 1 2.30 0.0 1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5573 hn-n -c -o 1 2.50 180.0 -2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5574 hn-n -c -o 1 2.00 0.0 1. J.C.cistrans-NMA DE
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5575 c3-ss-ss-c3 1 3.50 0.0 -2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5576 c3-ss-ss-c3 1 0.60 0.0 3. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5577 c3-n3-nh-ca 1 1.90 0.0 -2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5578 c3-n3-nh-ca 1 1.90 0.0 3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5579 c3-n3-p5-o 1 3.00 180.0 -2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5580 c3-n3-p5-o 1 2.30 0.0 3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5581 ca-nh-oh-ho 1 1.20 0.0 -1.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5582 ca-nh-oh-ho 2 3.00 0.0 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5583 oh-p5-os-c3 1 0.25 0.0 -3. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5584 oh-p5-os-c3 1 1.20 0.0 2. gg&gt ene.631g*/mp2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5585 os-p5-os-c3 1 0.25 0.0 -3. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5586 os-p5-os-c3 1 1.20 0.0 2. gg&gt ene.631g*/mp2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5587 h1-c3-c -o 1 0.80 0.0 -1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5588 h1-c3-c -o 1 0.08 180.0 3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5589 hc-c3-c -o 1 0.80 0.0 -1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5590 hc-c3-c -o 1 0.08 180.0 3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5591 hc-c3-c3-hc 1 0.15 0.0 3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5592 hc-c3-c3-c3 1 0.16 0.0 3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5593 hc-c3-c2-c2 1 0.38 180.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5594 hc-c3-c2-c2 1 1.15 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5595 ho-oh-c3-c3 1 0.16 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5596 ho-oh-c3-c3 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5597 ho-oh-c -o 1 2.30 180.0 -2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5598 ho-oh-c -o 1 1.90 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5599 c2-c2-c -o 1 2.175 180.0 -2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5600 c2-c2-c -o 1 0.30 0.0 3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5601 c3-c2-c2-c3 1 6.65 180.0 -2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5602 c3-c2-c2-c3 1 1.90 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5603 c3-c3-c3-c3 1 0.18 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5604 c3-c3-c3-c3 1 0.25 180.0 -2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5605 c3-c3-c3-c3 1 0.20 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5606 c3-c3-n3-c3 1 0.30 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5607 c3-c3-n3-c3 1 0.48 180.0 2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5608 c3-c3-os-c3 1 0.383 0.0 -3.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5609 c3-c3-os-c3 1 0.1 180.0 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5610 c3-c3-os-c 1 0.383 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5611 c3-c3-os-c 1 0.80 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5612 c3-os-c3-os 1 0.10 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5613 c3-os-c3-os 1 0.85 180.0 -2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5614 c3-os-c3-os 1 1.35 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5615 c3-os-c3-na 1 0.383 0.0 -3. parm98.dat, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5616 c3-os-c3-na 1 0.65 0.0 2. Piotr et al.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5617 o -c -os-c3 1 2.70 180.0 -2. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5618 o -c -os-c3 1 1.40 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5619 os-c3-na-c2 1 0.00 000.0 -2. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5620 os-c3-na-c2 1 2.50 0.0 1. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5621 os-c3-c3-os 1 0.144 0.0 -3. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5622 os-c3-c3-os 1 1.175 0.0 2. Piotr et al.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5623 os-c3-c3-oh 1 0.144 0.0 -3. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5624 os-c3-c3-oh 1 1.175 0.0 2. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5625 oh-c3-c3-oh 1 0.144 0.0 -3. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5626 oh-c3-c3-oh 1 1.175 0.0 2. parm98, TC,PC,PAK
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5627 f -c3-c3-f 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5628 f -c3-c3-f 1 1.20 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5629 cl-c3-c3-cl 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5630 cl-c3-c3-cl 1 0.45 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5631 br-c3-c3-br 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5632 br-c3-c3-br 1 0.00 180.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5633 h1-c3-c3-os 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5634 h1-c3-c3-os 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5635 h1-c3-c3-oh 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5636 h1-c3-c3-oh 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5637 h1-c3-c3-f 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5638 h1-c3-c3-f 1 0.19 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5639 h1-c3-c3-cl 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5640 h1-c3-c3-cl 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5641 h1-c3-c3-br 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5642 h1-c3-c3-br 1 0.55 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5643 hc-c3-c3-os 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5644 hc-c3-c3-os 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5645 hc-c3-c3-oh 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5646 hc-c3-c3-oh 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5647 hc-c3-c3-f 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5648 hc-c3-c3-f 1 0.19 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5649 hc-c3-c3-cl 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5650 hc-c3-c3-cl 1 0.25 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5651 hc-c3-c3-br 1 0.00 0.0 -3. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5652 hc-c3-c3-br 1 0.55 0.0 1. Junmei et al, 1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5653
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5654 X -o -c -o 1.1 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5655 X -X -c -o 10.5 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5656 X -X -ca-ha 1.1 180. 2. bsd.on C6H6 nmodes
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5657 X -X -n -hn 1.1 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5658 X -X -n2-hn 1.1 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5659 X -X -na-hn 1.1 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5660 X -c3-n -c3 1.1 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5661 X -n2-ca-n2 10.5 180. 2. JCC,7,(1986),230
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5662 c -c2-c2-c3 1.1 180. 2. dac guess, 9/94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5663 c -ca-ca-c3 1.1 180. 2. dac guess, 9/94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5664 c -c3-n -hn 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5665 c -c3-n -o 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5666 c2-c2-na-c3 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5667 c2-c -c2-c3 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5668 c2-c3-c2-hc 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5669 c2-c3-ca-hc 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5670 c2-hc-c -o 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5671 c3-o -c -oh 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5672 c3-c2-c2-n2 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5673 c3-c2-c2-na 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5674 c3-ca-ca-n2 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5675 c3-ca-ca-na 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5676 ca-ca-ca-c2 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5677 ca-ca-ca-c3 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5678 ca-ca-ca-f 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5679 ca-ca-ca-cl 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5680 ca-ca-ca-br 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5681 ca-ca-ca-i 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5682 ca-ca-c -oh 1.1 180. 2. (not used in tyr!)
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5683 ca-ca-na-c3 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5684 ca-c -ca-c3 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5685 ca-hc-c -o 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5686 ca-n2-ca-n2 1.1 180. 2. dac, 10/94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5687 hc-o -c -oh 1.1 180. 2. Junmei et al.1999
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5688 hc-o -c -os 1.1 180. 2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5689 n2-c2-ca-n2 1.1 180. 2. dac guess, 9/94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5690 n2-ca-ca-n2 1.1 180. 2. dac guess, 9/94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5691 na-n2-ca-n2 1.1 180. 2. dac, 10/94
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5692
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5693 hw ow 0000. 0000. 4. flag for fast water
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5694
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5695
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5696 MOD4 RE
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5697 h1 1.3870 0.0157 Veenstra et al JCC,8,(1992),963
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5698 h2 1.2870 0.0157 Veenstra et al JCC,8,(1992),963
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5699 h3 1.1870 0.0157 Veenstra et al JCC,8,(1992),963
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5700 h4 1.4090 0.0150 Spellmeyer, one electrowithdr. neighbor
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5701 h5 1.3590 0.0150 Spellmeyer, two electrowithdr. neighbor
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5702 ha 1.4590 0.0150 Spellmeyer
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5703 hc 1.4870 0.0157 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5704 hn 0.6000 0.0157 !Ferguson base pair geom.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5705 ho 0.0000 0.0000 OPLS Jorgensen, JACS,110,(1988),1657
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5706 hp 0.6000 0.0157 same to hs (be careful !)
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5707 hs 0.6000 0.0157 W. Cornell CH3SH --> CH3OH FEP
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5708 hw 0.0000 0.0000 OPLS Jorgensen, JACS,110,(1988),1657
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5709 hx 1.1000 0.0157 Veenstra et al JCC,8,(1992),963
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5710 o 1.6612 0.2100 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5711 oh 1.7210 0.2104 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5712 os 1.6837 0.1700 OPLS ether
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5713 ow 1.7683 0.1520 TIP3P water model
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5714 c 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5715 c1 1.9080 0.2100 cp C DLM 11/2007 well depth from OPLS replacing 0.0860
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5716 c2 1.9080 0.0860 sp2 atom in the middle of C=CD-CD=C
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5717 c3 1.9080 0.1094 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5718 ca 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5719 cc 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5720 cd 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5721 ce 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5722 cf 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5723 cg 1.9080 0.2100 DLM 12/2007 as c1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5724 ch 1.9080 0.2100 DLM 12/2007 as c1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5725 cp 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5726 cq 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5727 cu 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5728 cv 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5729 cx 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5730 cy 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5731 cz 1.9080 0.0860 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5732 n 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5733 n1 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5734 n2 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5735 n3 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5736 n4 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5737 na 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5738 nb 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5739 nc 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5740 nd 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5741 ne 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5742 nf 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5743 nh 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5744 no 1.8240 0.1700 OPLS
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5745 s 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5746 s2 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5747 s4 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5748 s6 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5749 sx 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5750 sy 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5751 sh 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5752 ss 2.0000 0.2500 W. Cornell CH3SH and CH3SCH3 FEP's
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5753 p2 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5754 p3 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5755 p4 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5756 p5 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5757 pb 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5758 px 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5759 py 2.1000 0.2000 JCC,7,(1986),230;
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5760 f 1.75 0.061 Gough et al. JCC 13,(1992),963.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5761 cl 1.948 0.265 Fox, JPCB,102,8070,(98),flex.mdl CHCl3
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5762 br 2.02 0.420 Junmei, 2010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5763 i 2.15 0.50 Junmei, 2010
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5764
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5765 END
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5766
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5767 ---------------------------------------------------------------------------------------------------------------------------
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5768 This is an improved version of gaff 1.0. We have modified some parameters
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5769 according to users' feedback. We would like to thank users who provide
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5770 nice feedback/suggestion, especially David Mobley and Gabriel Rocklin. We
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5771 are in a process of developing a new generation of general amber force
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5772 field (gaff2). This version is a meta-version between gaff1 and gaff2.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5773 !!!Suggestions/criticisms/comments are always welcome !!!
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5774 ---------------------------------------------------------------------------
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5775
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5776 Equilibrium Sources
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5777 SOURCE1
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5778 Authors: Frank H. Allen, Olga Kennard and David G. Watson
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5779 Title : Tables of Bond lengths determined by X-ray and neutron
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5780 diffraction. Part 1. Bond lengths in organic compounds
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5781 Journal: J. Chem. Soc. Perkin Trans. II 1987, S1-S19
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5782
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5783 SOURCE2
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5784 Authors: Harmony, M. D.; Laurie, V. W.; Kuczkowski, R. L.; Schwendeman,
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5785 R. H.; Ramsay, D. A.; Lovas, F. J.; Lafferty, W. J.; Maki, A. G.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5786 Title : Molecular structures of gas-phase polyatomic molecules determined
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5787 by spectroscopic methods
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5788 Journal: J. Phys. Chem. Ref. Data, Vol 8, 1979, 619
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5789
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5790 SOURCE3
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5791 Optimized geometries at MP2/6-31G* level
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5792
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5793 SOURCE4
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5794 Optimized geometries at B3LYP/6-31G* level
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5795
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5796 Bond stretching parameter format
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5797 atom_type force_constant equ. length source_ID occurrence rmsd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5798 xx-yy 581.1 1.288 SOURCE1 103 0.0100
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5799
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5800 atom_type force_constant equ. angle source_ID occurrence rmsd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5801 xx-yy-zz 35.450 103.620 SOURCE3 3 0.7078
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5802
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5803 ---------------------------------------------------------------------------
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5804 Major changes from gaff.dat version 1.0
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5805
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5806 1. All the sp2 carbon in a AR2 ring (such as pyrrole, furan, pyrazole)
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5807 only have cc or cd atom types (no c2). This is suggested by Gabriel
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5808 Rocklin from UCSF. This modification improves the planarity of
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5809 multiple-ring systems
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5810
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5811 2. New van der Waals parameters have been developed for br and i atom
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5812 types. The current parameters can well reproduce the experimental density
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5813 data of CH3Br (1.6755, 20 degree) and CH3I (2.2789, 20 degree): 1.642 for
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5814 CH3Br and 2.25 for CH3I, in contrast, the old parameters give 1.31 and
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5815 1.84, respectively. (Junmei, unpublished result)
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5816
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5817 3. New van der Waals parameters have been suggested by David Mobley for
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5818 c1, cg and ch atom types. The justification of the changes is discussed at
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5819 http://dx.doi.org/10.1021/ct800409d
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5820
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5821 4. We have performed B3LYP/6-31G* optimization for 15 thousands marketed
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5822 or experimental drugs/bio-actives. Reliable bond length and bond angle
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5823 equilibrium parameters were obtained by statistics: each bond length
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5824 parameter must show up in at least five times and has a rmsd smaller than
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5825 0.02 angstroms; each bond angle parameter must show up at least five times
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5826 and has a rmsd smaller than 2.5 degrees. Those new parameters not showing
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5827 up in old gaff were directly added into gaff 1.x; and some low-quality
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5828 gaff parameters which show up less than five times or have large rmsd
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5829 values (>0.02 angstroms for bond length and >5 degrees for bond angles)
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5830 were replaced with those newly generated. Here are the numbers:
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5831
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5832 Bond length: 59 low quality parameters were replaced and 56 new parameters
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5833 were introduced.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5834
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5835 Bond angle: 437 low quality parameters were replaced and 618 new
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5836 parameters were introduced.
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5837
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5838 ---------------------------------------------------------------------------
dbb480e39d95 Uploaded
marcel
parents:
diff changeset
5839