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RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
-2.4422 -4.5584 -1.1023 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1329 -3.9451 -1.0841 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.8712 -2.8709 -0.2297 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8993 -2.4999 0.6266 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.1182 -1.1745 0.9828 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2749 -0.2227 0.4976 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1218 -0.5597 -0.1923 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9356 -1.9014 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0550 0.3599 -0.2660 N 0 0 0 0 0 0 0 0 0 0 0 0
1.2125 -0.0965 -0.7309 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0440 -0.7310 0.5415 C 0 0 2 0 0 0 0 0 0 0 0 0
1.3298 0.2416 1.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2775 0.3499 0.3357 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4302 -0.4394 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1543 -1.4623 -0.9635 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1393 -0.8904 1.1663 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2257 1.7808 -0.1954 C 0 0 0 0 0 0 0 0 0 0 0 0
0.8169 2.6234 -0.5729 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7806 3.9885 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3254 4.4892 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4460 3.6773 0.4342 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4425 2.4096 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.8944 1.4319 0.1684 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
4 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
7 9 1 0
9 10 1 0
11 10 1 6
11 12 1 0
11 13 1 0
13 14 1 0
14 15 1 0
14 16 1 0
9 17 1 0
17 18 2 0
18 19 1 0
19 20 2 0
20 21 1 0
21 22 2 0
22 23 1 0
8 3 1 0
22 17 1 0
23 6 1 0
M END
> <zinc_id> (1)
ZINC000000020246
> <smiles> (1)
COc1ccc2c(c1)N(C[C@H](C)CN(C)C)c1ccccc1S2
$$$$
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