Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite-1.0.1/data/fragments/U.db @ 9:2cff9609f2c7

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author marcel
date Tue, 15 Nov 2011 10:40:26 -0500
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8:9ab6da6cd36c 9:2cff9609f2c7
1 <node>U
2 <node>Names
3 <node>Uracil</node>
4 <node>U</node>
5 </node>
6 <node>Atoms
7 <node>P<value>P 38.566 27.407 37.821</value></node>
8 <node>O1P<value>O 38.595 26.254 36.889</value></node>
9 <node>O2P<value>O 39.157 27.302 39.179</value></node>
10 <node>O5*<value>O 37.072 27.912 37.957</value></node>
11 <node>C5*<value>C 36.632 28.815 38.965</value></node>
12 <node>1H5*<value>H 37.233 29.724 38.959</value></node>
13 <node>2H5*<value>H 36.702 28.339 39.943</value></node>
14 <node>C4*<value>C 35.191 29.171 38.689</value></node>
15 <node>H4*<value>H 34.765 29.830 39.445</value></node>
16 <node>O4*<value>O 35.114 29.926 37.469</value></node>
17 <node>C3*<value>C 34.331 27.906 38.457</value></node>
18 <node>H3*<value>H 34.825 26.944 38.594</value></node>
19 <node>O3*<value>O 33.163 27.975 39.270</value></node>
20 <node>C2*<value>C 33.920 28.064 36.992</value></node>
21 <node>1H2*<value>H 34.360 27.260 36.402</value></node>
22 <node>2H2*<value>H 32.834 28.020 36.912</value></node>
23 <node>C1*<value>C 33.860 29.573 36.906</value></node>
24 <node>H1*<value>H 33.070 30.098 37.443</value></node>
25 <node>N1<value>N 33.730 30.096 35.526</value></node>
26 <node>C6<value>C 34.405 29.543 34.472</value></node>
27 <node>H6<value>H 35.056 28.699 34.642</value></node>
28 <node>C5<value>C 34.237 29.984 33.219</value></node>
29 <node>H5<value>H 35.018 29.323 32.073</value></node>
30 <node>C4<value>C 33.326 31.071 32.932</value></node>
31 <node>O4<value>O 33.094 31.529 31.816</value></node>
32 <node>N3<value>N 32.681 31.586 34.053</value></node>
33 <node>H3<value>H 31.993 32.416 33.893</value></node>
34 <node>C2<value>C 32.839 31.151 35.352</value></node>
35 <node>O2<value>O 32.225 31.690 36.276</value></node>
36 </node>
37 <node>Bonds
38 <node>1<value>P O1P s</value></node>
39 <node>2<value>P O2P d</value></node>
40 <node>3<value>P O5* s</value></node>
41 <node>4<value>O5* C5* s</value></node>
42 <node>5<value>C5* C4* s</value></node>
43 <node>6<value>C4* O4* s</value></node>
44 <node>7<value>C4* C3* s</value></node>
45 <node>8<value>C3* O3* s</value></node>
46 <node>9<value>C3* C2* s</value></node>
47 <node>10<value>C2* C1* s</value></node>
48 <node>11<value>C1* O4* s</value></node>
49 <node>12<value>C1* N1 s</value></node>
50 <node>13<value>N1 C6 s</value></node>
51 <node>14<value>C6 C5 d</value></node>
52 <node>15<value>C5 H5 s</value></node>
53 <node>16<value>C5 C4 s</value></node>
54 <node>17<value>C4 O4 d</value></node>
55 <node>18<value>C4 N3 s</value></node>
56 <node>19<value>N3 C2 s</value></node>
57 <node>20<value>C2 O2 d</value></node>
58 <node>21<value>C2 N1 s</value></node>
59 <node>22<value>C5* 1H5* s</value></node>
60 <node>23<value>C5* 2H5* s</value></node>
61 <node>24<value>C4* H4* s</value></node>
62 <node>25<value>C1* H1* s</value></node>
63 <node>26<value>C3* H3* s</value></node>
64 <node>27<value>C2* 1H2* s</value></node>
65 <node>28<value>C2* 2H2* s</value></node>
66 <node>29<value>C6 H6 s</value></node>
67 <node>30<value>N3 H3 s</value></node>
68 </node>
69 <node>Connections
70 <node>5-term<value>P 3-term s 1.62 0.5</value></node>
71 <node>3-term<value>O3* 5-term s 1.62 0.5</value></node>
72 </node>
73 <node>Properties
74 <node>NUCLEOTIDE</node>
75 </node>
76 <node>Variants
77 <node>U-M
78 <node>Properties
79 <node>5_PRIME</node>
80 <node>3_PRIME</node>
81 </node>
82 </node>
83 <node>Default
84 <node>Properties
85 </node>
86 </node>
87 <node>U-3
88 <node>Properties
89 <node>3_PRIME</node>
90 </node>
91 </node>
92 <node>U-5
93 <node>Properties
94 <node>5_PRIME</node>
95 </node>
96 </node>
97 </node>
98 </node>
99