fragmenstein/demo/test_mols/mac-x0398.mol
mac-x0398
RDKit 3D
11 11 0 0 0 0 0 0 0 0999 V2000
-6.3500 14.8540 2.3020 N 0 0 0 0 0 0 0 0 0 0 0 0
-5.5810 14.9220 1.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1780 14.8490 1.0510 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4760 14.9350 -0.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.1290 15.1000 -1.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.3830 15.1620 -2.6600 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.0570 15.2410 -3.6860 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1230 15.1090 -2.7660 O 0 0 0 0 0 0 0 0 0 0 0 0
-5.5110 15.1710 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.1870 15.3280 -2.5160 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2360 15.0950 -0.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 2 0
6 8 1 0
5 9 1 0
9 10 1 0
2 11 1 0
9 11 2 0
M END