1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22
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RDKit 3D
9 8 0 0 0 0 0 0 0 0999 V2000
1.1671 -0.0430 0.1359 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0465 0.8308 0.1212 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1625 0.1252 -0.1239 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2774 -0.5409 -0.8323 H 0 0 0 0 0 1 0 0 0 0 0 0
1.0628 -0.7863 0.9323 H 0 0 0 0 0 1 0 0 0 0 0 0
2.0648 0.5508 0.3277 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.9868 0.8434 -0.1243 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.3419 -0.6127 0.6641 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.1274 -0.3672 -1.1006 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 1 0
2 3 1 0
1 4 1 0
1 5 1 0
1 6 1 0
3 7 1 0
3 8 1 0
3 9 1 0
M END
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