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 34 35 36 37 38 39 40 41
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RDKit 3D
18 18 0 0 0 0 0 0 0 0999 V2000
0.0691 -1.4428 -0.3962 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1559 -0.2853 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7946 1.2321 0.3261 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1933 1.3063 -0.6881 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1545 0.2881 0.1104 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6524 -1.0994 0.7769 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3508 -1.2270 -1.3511 H 0 0 0 0 0 0 0 0 0 0 0 0
0.6986 -2.3319 -0.3181 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7729 -0.6454 0.7075 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7026 -0.2279 -1.0442 H 0 0 0 0 0 0 0 0 0 0 0 0
1.7435 1.7339 0.1016 H 0 0 0 0 0 0 0 0 0 0 0 0
0.5806 1.2483 1.3674 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.8053 2.2075 -0.6695 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.0401 0.8664 -1.6403 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.8574 -0.0295 -0.6633 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.6798 0.8523 0.8822 H 0 0 0 0 0 0 0 0 0 0 0 0
-0.2002 -0.7851 1.6936 H 0 0 0 0 0 0 0 0 0 0 0 0
-1.5841 -1.6606 0.9094 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
4 5 1 0
5 6 1 0
6 1 1 0
1 7 1 0
1 8 1 0
2 9 1 0
2 10 1 0
3 11 1 0
3 12 1 0
4 13 1 0
4 14 1 0
5 15 1 0
5 16 1 0
6 17 1 0
6 18 1 0
M END
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