Mercurial > repos > marcel > caddsuite_linux_x86_64

comparison CADDSuite-1.0/data/fragments/C.db @ 14:55c32b55c2c2

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Uploaded Version 1.1
author marcel
date Thu, 12 Jan 2012 11:00:43 -0500
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13:cce3667779c2 14:55c32b55c2c2
1 <node>C
2 <node>Names
3 <node>Cytosine</node>
4 <node>Cytosin</node>
5 <node>C</node>
6 </node>
7 <node>Atoms
8 <node>P<value>P 15.644 29.327 35.222</value></node>
9 <node>O1P<value>O 15.393 28.440 36.382</value></node>
10 <node>O2P<value>O 14.638 30.335 34.831</value></node>
11 <node>O5*<value>O 15.947 28.383 33.968</value></node>
12 <node>C5*<value>C 16.069 28.915 32.657</value></node>
13 <node>1H5*<value>H 16.821 29.704 32.690</value></node>
14 <node>2H5*<value>H 15.119 29.333 32.322</value></node>
15 <node>C4*<value>C 16.513 27.844 31.682</value></node>
16 <node>H4*<value>H 16.609 28.228 30.666</value></node>
17 <node>O4*<value>O 17.830 27.370 32.014</value></node>
18 <node>C3*<value>C 15.542 26.637 31.746</value></node>
19 <node>H3*<value>H 14.654 26.736 32.370</value></node>
20 <node>O3*<value>O 15.186 26.233 30.429</value></node>
21 <node>C2*<value>C 16.448 25.569 32.322</value></node>
22 <node>1H2*<value>H 16.102 25.297 33.319</value></node>
23 <node>2H2*<value>H 16.428 24.689 31.678</value></node>
24 <node>C1*<value>C 17.781 25.967 31.722</value></node>
25 <node>H1*<value>H 17.935 25.853 30.649</value></node>
26 <node>N1<value>N 18.940 25.252 32.322</value></node>
27 <node>C6<value>C 18.970 24.882 33.637</value></node>
28 <node>H6<value>H 18.141 25.127 34.285</value></node>
29 <node>C5<value>C 20.022 24.211 34.147</value></node>
30 <node>H5<value>H 20.029 23.926 35.199</value></node>
31 <node>C4<value>C 21.100 23.907 33.243</value></node>
32 <node>N4<value>N 22.167 23.241 33.694</value></node>
33 <node>1H4<value>H 22.908 23.042 33.037</value></node>
34 <node>2H4<value>H 22.216 22.954 34.661</value></node>
35 <node>N3<value>N 21.059 24.280 31.953</value></node>
36 <node>C2<value>C 19.992 24.955 31.461</value></node>
37 <node>O2<value>O 19.963 25.291 30.279</value></node>
38 </node>
39 <node>Bonds
40 <node>1<value>P O1P s</value></node>
41 <node>2<value>P O2P d</value></node>
42 <node>3<value>P O5* s</value></node>
43 <node>4<value>O5* C5* s</value></node>
44 <node>5<value>C5* C4* s</value></node>
45 <node>6<value>C4* O4* s</value></node>
46 <node>7<value>C4* C3* s</value></node>
47 <node>8<value>C3* O3* s</value></node>
48 <node>9<value>C3* C2* s</value></node>
49 <node>10<value>C2* C1* s</value></node>
50 <node>11<value>C1* O4* s</value></node>
51 <node>12<value>C1* N1 s</value></node>
52 <node>13<value>N1 C6 s</value></node>
53 <node>14<value>C6 C5 d</value></node>
54 <node>15<value>C5 C4 s</value></node>
55 <node>16<value>C4 N4 s</value></node>
56 <node>17<value>C4 N3 d</value></node>
57 <node>18<value>N3 C2 s</value></node>
58 <node>19<value>C2 O2 d</value></node>
59 <node>20<value>C2 N1 s</value></node>
60 <node>21<value>C5* 1H5* s</value></node>
61 <node>22<value>C5* 2H5* s</value></node>
62 <node>23<value>C4* H4* s</value></node>
63 <node>24<value>C1* H1* s</value></node>
64 <node>25<value>C3* H3* s</value></node>
65 <node>26<value>C2* 1H2* s</value></node>
66 <node>27<value>C2* 2H2* s</value></node>
67 <node>28<value>C6 H6 s</value></node>
68 <node>29<value>C5 H5 s</value></node>
69 <node>30<value>N4 1H4 s</value></node>
70 <node>31<value>N4 2H4 s</value></node>
71 </node>
72 <node>Connections
73 <node>5-term<value>P 3-term s 1.62 0.5</value></node>
74 <node>3-term<value>O3* 5-term s 1.62 0.5</value></node>
75 </node>
76 <node>Properties
77 <node>NUCLEOTIDE</node>
78 </node>
79 <node>Variants
80 <node>C-M
81 <node>Properties
82 <node>5_PRIME</node>
83 <node>3_PRIME</node>
84 </node>
85 </node>
86 <node>Default
87 <node>Properties
88 </node>
89 </node>
90 <node>C-3
91 <node>Properties
92 <node>3_PRIME</node>
93 </node>
94 </node>
95 <node>C-5
96 <node>Properties
97 <node>5_PRIME</node>
98 </node>
99 </node>
100 </node>
101 </node>
102