1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22
|
RDKit 3D
9 8 0 0 0 0 0 0 0 0999 V2000
-0.9024 0.0481 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5429 -0.3442 0.2584 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3428 0.1039 -0.8261 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.0006 1.1358 -0.0457 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.2733 -0.3731 -0.9081 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.5350 -0.3046 0.8515 H 0 0 0 0 0 1 0 0 0 0 0 0
0.6383 -1.4318 0.3261 H 0 0 0 0 0 1 0 0 0 0 0 0
0.9284 0.0943 1.1838 H 0 0 0 0 0 1 0 0 0 0 0 0
1.2590 1.0716 -0.8719 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
2 7 1 0
2 8 1 0
3 9 1 0
M END
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