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RDKit 3D
19 19 0 0 0 0 0 0 0 0999 V2000
6.2486 0.8957 0.5234 O 0 0 0 0 0 0 0 0 0 0 0 0
5.1868 0.5734 -0.0654 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8330 0.7556 0.5435 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5041 -0.3370 1.5203 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0452 -0.6683 1.5936 C 0 0 0 0 0 0 0 0 0 0 0 0
1.1794 0.1595 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0614 -0.4688 -0.6672 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3407 -0.8413 -1.0466 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3492 0.1705 -0.6402 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8828 0.8211 -1.5889 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1121 0.0886 0.5530 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.5377 0.2305 0.5782 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2254 0.7269 -0.5205 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5048 0.2915 -0.8395 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.0120 -0.8443 -0.2197 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.5067 -1.0982 1.0483 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2067 -0.7160 1.3434 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2516 0.0223 -1.3814 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3681 0.2384 -2.0968 O 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
9 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
2 18 1 0
18 19 1 0
17 12 1 0
M END
> <zinc_id> (1)
ZINC000001543873
> <smiles> (1)
O=C(CCCCCCC(=O)Nc1ccccc1)NO
$$$$
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