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 29 30 31 32 33
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RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
0.4170 1.1370 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 1.3799 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8555 0.3211 -0.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3746 -0.9799 0.0729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0024 -1.2169 0.0959 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9105 -0.1566 0.0352 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2846 -0.4086 -0.0596 N 0 0 0 0 0 0 0 0 0 0 0 0
1.1021 1.9702 -0.2828 H 0 0 0 0 0 1 0 0 0 0 0 0
-1.3281 2.3937 -0.3053 H 0 0 0 0 0 1 0 0 0 0 0 0
-2.9258 0.5070 -0.0783 H 0 0 0 0 0 1 0 0 0 0 0 0
-2.0689 -1.8130 0.1395 H 0 0 0 0 0 1 0 0 0 0 0 0
0.3606 -2.2405 0.1624 H 0 0 0 0 0 1 0 0 0 0 0 0
2.8627 0.3792 0.2145 H 0 0 0 0 0 1 0 0 0 0 0 0
2.5718 -1.2725 0.3891 H 0 0 0 0 0 1 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
6 1 1 0
1 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
5 12 1 0
7 13 1 0
7 14 1 0
M END
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