1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28
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OCCC seed 42
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
1.8772 -0.8302 -0.0243 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9180 0.1277 -0.3117 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2334 -0.0375 0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4952 0.0373 -0.2033 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7021 -0.3525 0.2041 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6228 -0.0298 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0
1.2807 1.1624 -0.2252 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2911 0.7835 1.4012 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.1692 -0.9962 1.2092 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.4617 1.0009 -0.7327 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3996 -0.1238 0.4009 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.3505 -0.7418 -0.9936 H 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 1 0
1 5 1 0
2 6 1 0
2 7 1 0
3 8 1 0
3 9 1 0
4 10 1 0
4 11 1 0
4 12 1 0
M END
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