fragmenstein/demo/mac1_mols/mac-x0116.mol
mac-x0116
RDKit 3D
16 18 0 0 0 0 0 0 0 0999 V2000
-6.7750 11.1700 2.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.5010 11.2260 0.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.2000 12.4890 0.5420 O 0 0 0 0 0 0 0 0 0 0 0 0
-6.2380 13.2500 1.6520 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.9360 14.7480 1.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5030 14.9720 1.7360 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7650 14.9300 0.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3670 15.0630 -0.6620 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.7190 15.0210 -1.7930 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.4130 14.8800 -1.8600 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.7380 14.7610 -0.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4490 14.6250 -0.4560 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.3320 14.5690 0.8530 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4830 14.6630 1.4470 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.3920 14.8060 0.4780 C 0 0 0 0 0 0 0 0 0 0 0 0
-6.6100 12.4510 2.7010 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 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
7 15 1 0
11 15 2 0
14 15 1 0
1 16 1 0
4 16 2 0
M END