Mercurial > repos > marcel > caddsuite_linux_x86_64
comparison CADDSuite/data/fragments/A.db @ 0:bac3c274238f
Migrated tool version 0.93 from old tool shed archive to new tool shed repository
| author | marcel |
|---|---|
| date | Tue, 07 Jun 2011 16:43:30 -0400 |
| parents | |
| children |
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| -1:000000000000 | 0:bac3c274238f |
|---|---|
| 1 <node>A | |
| 2 <node>Names | |
| 3 <node>Adenine</node> | |
| 4 <node>Adenin</node> | |
| 5 <node>A</node> | |
| 6 </node> | |
| 7 <node>Atoms | |
| 8 <node>P<value>P 23.872 39.165 31.119</value></node> | |
| 9 <node>O1P<value>O 25.231 39.217 30.523</value></node> | |
| 10 <node>O2P<value>O 22.847 40.110 30.636</value></node> | |
| 11 <node>O5*<value>O 24.015 39.407 32.681</value></node> | |
| 12 <node>C5*<value>C 23.898 38.444 33.717</value></node> | |
| 13 <node>1H5*<value>H 23.427 37.536 33.341</value></node> | |
| 14 <node>2H5*<value>H 23.266 38.889 34.485</value></node> | |
| 15 <node>C4*<value>C 25.259 38.091 34.326</value></node> | |
| 16 <node>H4*<value>H 25.156 37.622 35.304</value></node> | |
| 17 <node>O4*<value>O 25.979 37.144 33.552</value></node> | |
| 18 <node>C3*<value>C 26.180 39.302 34.326</value></node> | |
| 19 <node>H3*<value>H 26.158 39.977 33.470</value></node> | |
| 20 <node>O3*<value>O 25.805 40.074 35.470</value></node> | |
| 21 <node>C2*<value>C 27.544 38.641 34.414</value></node> | |
| 22 <node>1H2*<value>H 28.301 39.314 34.011</value></node> | |
| 23 <node>2H2*<value>H 27.774 38.419 35.456</value></node> | |
| 24 <node>C1*<value>C 27.277 37.165 34.164</value></node> | |
| 25 <node>H1*<value>H 27.382 36.562 35.066</value></node> | |
| 26 <node>N9<value>N 28.236 36.536 33.230</value></node> | |
| 27 <node>C8<value>C 28.440 36.783 31.901</value></node> | |
| 28 <node>H8<value>H 27.912 37.594 31.421</value></node> | |
| 29 <node>N7<value>N 29.329 36.020 31.347</value></node> | |
| 30 <node>C5<value>C 29.751 35.206 32.384</value></node> | |
| 31 <node>C6<value>C 30.698 34.181 32.452</value></node> | |
| 32 <node>N6<value>N 31.417 33.777 31.410</value></node> | |
| 33 <node>1H6<value>H 32.088 33.030 31.518</value></node> | |
| 34 <node>2H6<value>H 31.292 34.217 30.509</value></node> | |
| 35 <node>N1<value>N 30.867 33.595 33.636</value></node> | |
| 36 <node>C2<value>C 30.158 33.991 34.674</value></node> | |
| 37 <node>2H<value>H 30.296 33.518 35.635</value></node> | |
| 38 <node>N3<value>N 29.245 34.933 34.744</value></node> | |
| 39 <node>C4<value>C 29.090 35.512 33.538</value></node> | |
| 40 </node> | |
| 41 <node>Bonds | |
| 42 <node>1<value>P O1P s</value></node> | |
| 43 <node>2<value>P O2P d</value></node> | |
| 44 <node>3<value>P O5* s</value></node> | |
| 45 <node>4<value>O5* C5* s</value></node> | |
| 46 <node>5<value>C5* C4* s</value></node> | |
| 47 <node>6<value>C4* O4* s</value></node> | |
| 48 <node>7<value>C4* C3* s</value></node> | |
| 49 <node>8<value>C3* O3* s</value></node> | |
| 50 <node>9<value>C3* C2* s</value></node> | |
| 51 <node>10<value>C2* C1* s</value></node> | |
| 52 <node>11<value>C1* O4* s</value></node> | |
| 53 <node>12<value>C1* N9 s</value></node> | |
| 54 <node>13<value>N9 C8 s</value></node> | |
| 55 <node>14<value>C8 N7 d</value></node> | |
| 56 <node>15<value>N7 C5 s</value></node> | |
| 57 <node>16<value>C5 C6 s</value></node> | |
| 58 <node>17<value>C5 C4 d</value></node> | |
| 59 <node>18<value>C4 N9 s</value></node> | |
| 60 <node>19<value>C6 N6 s</value></node> | |
| 61 <node>20<value>C6 N1 d</value></node> | |
| 62 <node>21<value>N1 C2 s</value></node> | |
| 63 <node>22<value>C2 N3 d</value></node> | |
| 64 <node>23<value>N3 C4 s</value></node> | |
| 65 <node>24<value>C5* 1H5* s</value></node> | |
| 66 <node>25<value>C5* 2H5* s</value></node> | |
| 67 <node>26<value>C4* H4* s</value></node> | |
| 68 <node>27<value>C1* H1* s</value></node> | |
| 69 <node>28<value>C3* H3* s</value></node> | |
| 70 <node>29<value>C2* 1H2* s</value></node> | |
| 71 <node>30<value>C2* 2H2* s</value></node> | |
| 72 <node>31<value>C8 H8 s</value></node> | |
| 73 <node>32<value>N6 1H6 s</value></node> | |
| 74 <node>33<value>N6 2H6 s</value></node> | |
| 75 <node>34<value>C2 2H s</value></node> | |
| 76 </node> | |
| 77 <node>Connections | |
| 78 <node>5-term<value>P 3-term s 1.62 0.5</value></node> | |
| 79 <node>3-term<value>O3* 5-term s 1.62 0.5</value></node> | |
| 80 </node> | |
| 81 <node>Properties | |
| 82 <node>NUCLEOTIDE</node> | |
| 83 </node> | |
| 84 <node>Variants | |
| 85 <node>A-M | |
| 86 <node>Properties | |
| 87 <node>5_PRIME</node> | |
| 88 <node>3_PRIME</node> | |
| 89 </node> | |
| 90 </node> | |
| 91 <node>Default | |
| 92 <node>Properties | |
| 93 </node> | |
| 94 </node> | |
| 95 <node>A-3 | |
| 96 <node>Properties | |
| 97 <node>3_PRIME</node> | |
| 98 </node> | |
| 99 </node> | |
| 100 <node>A-5 | |
| 101 <node>Properties | |
| 102 <node>5_PRIME</node> | |
| 103 </node> | |
| 104 </node> | |
| 105 </node> | |
| 106 </node> | |
| 107 |