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RDKit 3D
20 22 0 0 0 0 0 0 0 0999 V2000
3.8635 -1.1253 1.5029 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4467 -1.0708 0.1865 N 0 0 0 0 0 0 0 0 0 0 0 0
3.4283 -1.2063 -0.8510 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1236 -0.7707 -0.2482 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1681 -0.2730 -1.2847 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0369 0.0629 -0.8199 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2023 1.4481 -0.3561 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8732 2.2286 -0.7059 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8770 3.5289 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3306 4.1187 0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2938 3.2840 0.6205 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2093 1.9153 0.4827 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4045 1.1770 0.9929 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0044 -0.0830 1.7410 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7362 -1.1123 0.6869 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3376 -2.3334 0.9403 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3407 -3.2837 -0.0485 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.5345 -3.2016 -1.1750 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5732 -2.1977 -1.1424 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7766 -1.1059 -0.3206 C 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 2 3
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 1 0
14 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 6 1 0
12 7 1 0
20 15 1 0
M END
> <zinc_id> (1)
ZINC000001530741
> <smiles> (1)
CNCCC=C1c2ccccc2CCc2ccccc21
$$$$
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