Mercurial > repos > marcel > caddsuite_mac10_6
diff CADDSuite-1.1/data/fragments/U.db @ 6:decca54699e3
Uploaded Version 1.1
author | marcel |
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date | Thu, 12 Jan 2012 11:07:03 -0500 |
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--- /dev/null Thu Jan 01 00:00:00 1970 +0000 +++ b/CADDSuite-1.1/data/fragments/U.db Thu Jan 12 11:07:03 2012 -0500 @@ -0,0 +1,99 @@ +<node>U + <node>Names + <node>Uracil</node> + <node>U</node> + </node> + <node>Atoms + <node>P<value>P 38.566 27.407 37.821</value></node> + <node>O1P<value>O 38.595 26.254 36.889</value></node> + <node>O2P<value>O 39.157 27.302 39.179</value></node> + <node>O5*<value>O 37.072 27.912 37.957</value></node> + <node>C5*<value>C 36.632 28.815 38.965</value></node> + <node>1H5*<value>H 37.233 29.724 38.959</value></node> + <node>2H5*<value>H 36.702 28.339 39.943</value></node> + <node>C4*<value>C 35.191 29.171 38.689</value></node> + <node>H4*<value>H 34.765 29.830 39.445</value></node> + <node>O4*<value>O 35.114 29.926 37.469</value></node> + <node>C3*<value>C 34.331 27.906 38.457</value></node> + <node>H3*<value>H 34.825 26.944 38.594</value></node> + <node>O3*<value>O 33.163 27.975 39.270</value></node> + <node>C2*<value>C 33.920 28.064 36.992</value></node> + <node>1H2*<value>H 34.360 27.260 36.402</value></node> + <node>2H2*<value>H 32.834 28.020 36.912</value></node> + <node>C1*<value>C 33.860 29.573 36.906</value></node> + <node>H1*<value>H 33.070 30.098 37.443</value></node> + <node>N1<value>N 33.730 30.096 35.526</value></node> + <node>C6<value>C 34.405 29.543 34.472</value></node> + <node>H6<value>H 35.056 28.699 34.642</value></node> + <node>C5<value>C 34.237 29.984 33.219</value></node> + <node>H5<value>H 35.018 29.323 32.073</value></node> + <node>C4<value>C 33.326 31.071 32.932</value></node> + <node>O4<value>O 33.094 31.529 31.816</value></node> + <node>N3<value>N 32.681 31.586 34.053</value></node> + <node>H3<value>H 31.993 32.416 33.893</value></node> + <node>C2<value>C 32.839 31.151 35.352</value></node> + <node>O2<value>O 32.225 31.690 36.276</value></node> + </node> + <node>Bonds + <node>1<value>P O1P s</value></node> + <node>2<value>P O2P d</value></node> + <node>3<value>P O5* s</value></node> + <node>4<value>O5* C5* s</value></node> + <node>5<value>C5* C4* s</value></node> + <node>6<value>C4* O4* s</value></node> + <node>7<value>C4* C3* s</value></node> + <node>8<value>C3* O3* s</value></node> + <node>9<value>C3* C2* s</value></node> + <node>10<value>C2* C1* s</value></node> + <node>11<value>C1* O4* s</value></node> + <node>12<value>C1* N1 s</value></node> + <node>13<value>N1 C6 s</value></node> + <node>14<value>C6 C5 d</value></node> + <node>15<value>C5 H5 s</value></node> + <node>16<value>C5 C4 s</value></node> + <node>17<value>C4 O4 d</value></node> + <node>18<value>C4 N3 s</value></node> + <node>19<value>N3 C2 s</value></node> + <node>20<value>C2 O2 d</value></node> + <node>21<value>C2 N1 s</value></node> + <node>22<value>C5* 1H5* s</value></node> + <node>23<value>C5* 2H5* s</value></node> + <node>24<value>C4* H4* s</value></node> + <node>25<value>C1* H1* s</value></node> + <node>26<value>C3* H3* s</value></node> + <node>27<value>C2* 1H2* s</value></node> + <node>28<value>C2* 2H2* s</value></node> + <node>29<value>C6 H6 s</value></node> + <node>30<value>N3 H3 s</value></node> + </node> + <node>Connections + <node>5-term<value>P 3-term s 1.62 0.5</value></node> + <node>3-term<value>O3* 5-term s 1.62 0.5</value></node> + </node> + <node>Properties + <node>NUCLEOTIDE</node> + </node> + <node>Variants + <node>U-M + <node>Properties + <node>5_PRIME</node> + <node>3_PRIME</node> + </node> + </node> + <node>Default + <node>Properties + </node> + </node> + <node>U-3 + <node>Properties + <node>3_PRIME</node> + </node> + </node> + <node>U-5 + <node>Properties + <node>5_PRIME</node> + </node> + </node> + </node> +</node> +