35 lines (33 with data), 1.3 kB
ligand
RDKit 3D
14 13 0 0 0 0 0 0 0 0999 V2000
-4.2887 -0.9243 11.4188 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.1340 -1.3861 12.4918 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9322 -0.2038 12.9957 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.6209 0.1068 14.4633 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.2178 0.0726 14.8044 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.6048 -1.2253 15.0272 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.1122 -1.1901 15.2792 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9715 -0.3214 16.5163 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3621 0.0720 16.9333 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1390 -1.1024 17.2499 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.4511 -1.0588 17.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9965 -2.4646 17.9678 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.9842 -3.4212 18.5937 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.4345 -4.3236 17.6034 N 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 1 0
11 12 1 0
12 13 1 0
13 14 1 0
M CHG 4 1 1 5 1 10 1 14 1
M END
$$$$