fragmenstein/demo/mac1_mols/mac-x0148.mol
mac-x0148
RDKit 3D
18 21 0 0 0 0 0 0 0 0999 V2000
-2.4340 13.4180 -5.5570 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.0160 14.7860 -5.4220 O 0 0 0 0 0 0 0 0 0 0 0 0
-2.6140 14.9960 -3.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.4010 14.8460 -3.9350 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.1900 13.7060 -5.1790 C 0 0 1 0 0 0 0 0 0 0 0 0
-0.3110 12.5270 -4.8730 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.8210 12.1100 -3.6420 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0190 13.1680 -2.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.6880 14.5550 -2.5820 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.9590 14.7530 -1.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
0.0990 14.6850 -0.4060 N 0 0 0 0 0 0 0 0 0 0 0 0
-0.0190 14.7350 0.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.1340 14.9410 1.4480 N 0 0 0 0 0 0 0 0 0 0 0 0
-2.2410 15.0080 0.7330 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.4950 15.1390 1.1240 N 0 0 0 0 0 0 0 0 0 0 0 0
-4.2910 15.2020 0.0860 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5730 15.0610 -1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.2300 14.8840 -0.6240 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
4 3 1 1
5 1 1 1
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
4 9 1 0
8 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 1 0
15 16 1 0
16 17 2 0
10 18 1 0
14 18 2 0
17 18 1 0
M END