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RDKit 3D
21 24 0 0 0 0 0 0 0 0999 V2000
5.5867 -0.6419 0.2516 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3959 -0.2002 0.9728 N 0 0 0 0 0 0 0 0 0 0 0 0
3.2845 -0.9564 0.4008 C 0 0 0 0 0 0 0 0 0 0 0 0
2.6582 -0.0497 -0.6464 C 0 0 0 0 0 0 0 0 0 0 0 0
1.3756 -0.6404 -1.1696 C 0 0 0 0 0 0 0 0 0 0 0 0
0.2685 -0.2307 -0.2576 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7049 -0.1431 1.2013 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4763 0.1650 2.0731 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7349 0.4758 1.2723 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9896 -0.7523 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0446 -1.5954 0.6616 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9266 -2.8887 0.1701 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.8964 -3.2591 -0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8764 -2.3604 -0.9717 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8796 -1.1918 -0.2607 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3189 1.5221 0.2850 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4664 2.8773 0.5307 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.9279 3.7208 -0.4346 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4333 3.1856 -1.6190 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0110 1.8681 -1.6508 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.3143 1.0955 -0.5776 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 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
9 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
19 20 1 0
20 21 2 0
15 6 1 0
21 16 1 0
21 6 1 0
15 10 1 0
M END
> <zinc_id> (1)
ZINC000001530688
> <smiles> (1)
CNCCCC12CCC(c3ccccc31)c1ccccc12
$$$$
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