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OCCC seed 42
RDKit 3D
12 11 0 0 0 0 0 0 0 0999 V2000
2.0535 -0.4153 0.3706 O 0 0 0 0 0 0 0 0 0 0 0 0
0.9236 -0.0151 -0.2942 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2871 -0.2551 0.6145 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4940 0.2052 -0.1749 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8206 0.0894 0.0086 H 0 0 0 0 0 0 0 0 0 0 0 0
0.8405 -0.5772 -1.2270 H 0 0 0 0 0 0 0 0 0 0 0 0
0.9094 1.0649 -0.5413 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2054 0.3197 1.5475 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.3303 -1.3236 0.8867 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.2537 1.2037 -0.5746 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.4141 0.1771 0.4397 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5632 -0.4737 -1.0557 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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