fragmenstein/demo/mac1_mols/mac-x0588.mol
mac-x0588
RDKit 3D
16 18 0 0 0 0 0 0 0 0999 V2000
-4.3570 15.3630 1.1220 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4820 15.2140 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.0630 15.0680 0.2210 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.3090 15.0220 1.3740 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0730 14.8140 0.9490 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.0280 14.7810 -0.3660 N 0 0 0 0 0 0 0 0 0 0 0 0
-1.2830 14.9260 -0.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.7690 14.9640 -2.0680 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.8810 14.8260 -3.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2850 16.1530 -3.6940 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.4470 16.9800 -4.3390 O 0 0 0 0 0 0 0 0 0 0 0 0
-0.9340 17.8850 -5.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
0.5590 17.5340 -5.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
0.6620 16.1730 -4.6930 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0670 15.1340 -2.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.9300 15.2520 -1.1890 N 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
3 7 1 0
6 7 2 0
7 8 1 0
8 9 1 0
10 9 1 6
10 11 1 0
11 12 1 0
12 13 1 0
10 14 1 0
13 14 1 0
8 15 1 0
2 16 1 0
15 16 2 0
M END