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
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untitled
RDKit 3D
12 12 0 0 0 0 0 0 0 0999 V2000
0.6686 0.7271 0.6756 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3897 1.7467 -0.3835 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2656 1.7746 0.0706 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7845 2.8497 -0.5281 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6195 0.7822 1.7731 H 0 0 0 0 0 0 0 0 0 0 0 0
0.3590 -0.2752 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
1.6996 0.9204 0.3446 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5937 1.1279 -1.2698 H 0 0 0 0 0 0 0 0 0 0 0 0
-2.3643 1.4818 0.0524 H 0 0 0 0 0 0 0 0 0 0 0 0
0.0267 1.6228 -0.6437 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.4270 3.1691 -1.5181 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.9638 3.9041 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
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3 4 1 0
1 5 1 0
1 6 1 0
1 7 1 0
2 8 1 0
2 9 1 0
3 10 1 0
4 11 1 0
4 12 1 0
M END
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