Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite-1.0.1/data/fragments/G.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>G
2 <node>Names
3 <node>Guanine</node>
4 <node>Guanin</node>
5 <node>G</node>
6 </node>
7 <node>Atoms
8 <node>P<value>P 32.612 26.662 40.051</value></node>
9 <node>O1P<value>O 33.579 26.377 41.135</value></node>
10 <node>O2P<value>O 32.257 25.612 39.055</value></node>
11 <node>O5*<value>O 31.233 27.248 40.656</value></node>
12 <node>C5*<value>C 31.159 28.416 41.468</value></node>
13 <node>1H5*<value>H 32.062 29.003 41.301</value></node>
14 <node>2H5*<value>H 31.095 28.140 42.520</value></node>
15 <node>C4*<value>C 29.940 29.254 41.095</value></node>
16 <node>H4*<value>H 29.785 30.090 41.777</value></node>
17 <node>O4*<value>O 30.102 29.870 39.801</value></node>
18 <node>C3*<value>C 28.712 28.348 41.021</value></node>
19 <node>O3*<value>O 27.645 28.918 41.772</value></node>
20 <node>H3*<value>H 28.886 27.326 41.358</value></node>
21 <node>C2*<value>C 28.364 28.341 39.559</value></node>
22 <node>1H2*<value>H 28.348 27.314 39.193</value></node>
23 <node>2H2*<value>H 27.382 28.792 39.416</value></node>
24 <node>C1*<value>C 28.928 29.637 39.018</value></node>
25 <node>H1*<value>H 28.284 30.517 39.013</value></node>
26 <node>N9<value>N 29.311 29.477 37.601</value></node>
27 <node>C8<value>C 30.238 28.616 37.067</value></node>
28 <node>H8<value>H 30.771 27.925 37.703</value></node>
29 <node>N7<value>N 30.381 28.736 35.780</value></node>
30 <node>C5<value>C 29.485 29.746 35.436</value></node>
31 <node>C6<value>C 29.204 30.305 34.166</value></node>
32 <node>O6<value>O 29.745 30.037 33.101</value></node>
33 <node>N1<value>N 28.225 31.296 34.247</value></node>
34 <node>1H<value>H 27.948 31.750 33.400</value></node>
35 <node>C2<value>C 27.605 31.699 35.418</value></node>
36 <node>N2<value>N 26.693 32.662 35.319</value></node>
37 <node>1H2<value>H 26.407 33.145 34.479</value></node>
38 <node>2H2<value>H 26.252 32.956 36.179</value></node>
39 <node>N3<value>N 27.881 31.170 36.610</value></node>
40 <node>C4<value>C 28.823 30.204 36.543</value></node>
41 </node>
42 <node>Bonds
43 <node>1<value>P O1P s</value></node>
44 <node>2<value>P O2P d</value></node>
45 <node>3<value>P O5* s</value></node>
46 <node>4<value>O5* C5* s</value></node>
47 <node>5<value>C5* C4* s</value></node>
48 <node>6<value>C4* O4* s</value></node>
49 <node>7<value>C4* C3* s</value></node>
50 <node>8<value>C3* O3* s</value></node>
51 <node>9<value>C3* C2* s</value></node>
52 <node>10<value>C2* C1* s</value></node>
53 <node>11<value>C1* O4* s</value></node>
54 <node>12<value>C1* N9 s</value></node>
55 <node>13<value>N9 C8 s</value></node>
56 <node>14<value>C8 N7 d</value></node>
57 <node>15<value>N7 C5 s</value></node>
58 <node>16<value>C5 C4 d</value></node>
59 <node>17<value>C4 N9 s</value></node>
60 <node>18<value>C5 C6 s</value></node>
61 <node>19<value>C6 O6 d</value></node>
62 <node>20<value>C6 N1 s</value></node>
63 <node>21<value>N1 C2 s</value></node>
64 <node>22<value>C2 N2 s</value></node>
65 <node>23<value>C2 N3 d</value></node>
66 <node>24<value>N3 C4 s</value></node>
67 <node>25<value>C5* 1H5* s</value></node>
68 <node>26<value>C5* 2H5* s</value></node>
69 <node>27<value>C4* H4* s</value></node>
70 <node>28<value>C1* H1* s</value></node>
71 <node>29<value>C3* H3* s</value></node>
72 <node>30<value>C2* 1H2* s</value></node>
73 <node>31<value>C2* 2H2* s</value></node>
74 <node>32<value>C8 H8 s</value></node>
75 <node>33<value>N1 1H s</value></node>
76 <node>34<value>N2 1H2 s</value></node>
77 <node>35<value>N2 2H2 s</value></node>
78 </node>
79 <node>Connections
80 <node>5-term<value>P 3-term s 1.62 0.5</value></node>
81 <node>3-term<value>O3* 5-term s 1.62 0.5</value></node>
82 </node>
83 <node>Properties
84 <node>NUCLEOTIDE</node>
85 </node>
86 <node>Variants
87 <node>G-M
88 <node>Properties
89 <node>5_PRIME</node>
90 <node>3_PRIME</node>
91 </node>
92 </node>
93 <node>Default
94 <node>Properties
95 </node>
96 </node>
97 <node>G-5
98 <node>Properties
99 <node>5_PRIME</node>
100 </node>
101 <node>G-3
102 <node>Properties
103 <node>3_PRIME</node>
104 </node>
105 </node>
106 </node>
107 </node>