Mercurial > repos > greg > gregs_test_repo

comparison CADDSuite-1.0.1/data/OpenBabel/templates.sdf @ 23:389056b8864a

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Uploaded https://github.com/downloads/CADDSuite/main/CADDSuite_1.0.1_Linux_x86-64.tar.gz
author greg
date Mon, 14 Nov 2011 17:02:30 -0500
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22:2615b9ede2c4 23:389056b8864a
1
2 ACD/Labs10200816283D
3
4 10 12 0 0 0 0 0 0 0 0 1 V2000
5 11.7466 -9.2167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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9 14.3767 -11.8246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
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11 13.9565 -9.1175 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
12 12.8891 -8.7118 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
13 12.5532 -9.6158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
14 12.4814 -11.1730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
15 1 8 1 0 0 0 0
16 1 2 2 0 0 0 0
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22 5 6 1 0 0 0 0
23 6 7 2 0 0 0 0
24 7 8 1 0 0 0 0
25 8 9 1 0 0 0 0
26 9 10 2 0 0 0 0
27 M END