fragmenstein/demo/mac1_mols/mac-x0522.mol
mac-x0522
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
1.7980 9.3000 -10.9390 O 0 0 0 0 0 0 0 0 0 0 0 0
2.8060 8.8970 -11.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4760 7.7430 -10.8230 N 0 0 0 0 0 0 0 0 0 0 0 0
2.8880 7.0350 -9.7010 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3260 5.9470 -9.1070 N 0 0 0 0 0 0 0 0 0 0 0 0
2.6090 5.4480 -8.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4490 6.1270 -7.7960 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4180 7.4190 -8.9210 S 0 0 0 0 0 0 0 0 0 0 0 0
3.3860 9.6210 -12.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4180 9.0370 -13.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9530 9.6650 -14.3850 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4360 10.8770 -14.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3860 11.4640 -14.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8510 10.8280 -12.9910 C 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 2 0
5 6 1 0
6 7 2 0
4 8 1 0
7 8 1 0
2 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
12 13 1 0
9 14 1 0
13 14 2 0
M END