fragmenstein/demo/mac1_mols/mac-x0587.mol
mac-x0587
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
0.1870 16.0250 -4.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6510 14.8060 -3.7540 C 0 0 2 0 0 0 0 0 0 0 0 0
-0.4320 13.3610 -4.8990 S 0 0 0 0 0 0 0 0 0 0 0 0
-0.3670 11.7750 -4.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
0.7520 11.6520 -3.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
0.9870 10.4640 -3.0060 O 0 0 0 0 0 0 0 0 0 0 0 0
1.3130 12.5130 -2.2890 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.1240 15.0380 -3.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9830 15.1450 -4.2280 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.5840 15.0110 -2.1540 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.9380 15.1500 -1.7420 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9130 15.1070 -0.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5460 14.9790 0.1420 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7440 14.9260 -1.0170 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5920 14.8580 -1.0450 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
2 8 1 0
8 9 2 0
8 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
10 14 1 0
13 14 1 0
14 15 2 0
M END