fragmenstein/demo/test_mols/x0103_0A.mol
x0103_0A
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
16.0570 11.3720 -1.1240 O 0 0 0 0 0 0 0 0 0 0 0 0
15.7390 12.2950 -0.3840 C 0 0 0 0 0 0 0 0 0 0 0 0
16.6280 13.0180 0.3730 N 0 0 0 0 0 0 0 0 0 0 0 0
18.0280 12.8970 0.4500 C 0 0 0 0 0 0 0 0 0 0 0 0
18.6330 13.0000 1.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
20.0120 12.9250 1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7880 12.7990 0.6700 C 0 0 0 0 0 0 0 0 0 0 0 0
20.1930 12.7530 -0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
18.8120 12.8180 -0.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
14.4490 12.7090 -0.1650 N 0 0 0 0 0 0 0 0 0 0 0 0
13.2430 12.1430 -0.6030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1280 12.9630 -0.4960 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8960 12.4880 -0.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8070 11.1970 -1.3810 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8620 10.3740 -1.4710 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0560 10.8450 -1.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 1 0
5 4 4 0
6 5 4 0
7 6 4 0
8 7 4 0
9 8 4 0
9 4 4 0
10 2 1 0
11 10 1 0
12 11 4 0
13 12 4 0
14 13 4 0
15 14 4 0
16 15 4 0
16 11 4 0
M END