fragmenstein/demo/mac1_mols/mac-x0441.mol
mac-x0441
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
0.8120 10.7850 -3.4270 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7860 12.0310 -3.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
1.2110 12.6930 -2.4650 O 0 0 0 0 0 0 0 0 0 0 0 0
0.2790 12.7220 -4.6830 C 0 0 0 0 0 0 0 0 0 0 0 0
0.1860 11.8180 -5.8270 N 0 0 0 0 0 0 0 0 0 0 0 0
0.9750 11.8200 -6.8370 N 0 0 0 0 0 0 0 0 0 0 0 0
0.6830 10.9520 -7.6910 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.4600 10.2880 -7.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.2860 9.1600 -7.8250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.3330 8.6900 -6.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.9790 9.8210 -6.0200 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.9220 10.5250 -5.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.7350 10.9230 -6.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4210 10.7220 -8.9810 C 0 0 1 0 0 0 0 0 0 0 0 0
2.0120 9.5400 -8.9850 F 0 0 0 0 0 0 0 0 0 0 0 0
0.5460 10.7820 -9.9850 F 0 0 0 0 0 0 0 0 0 0 0 0
2.3230 11.7150 -9.2220 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 2 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
5 13 1 0
8 13 2 0
12 13 1 0
7 14 1 0
14 15 1 1
14 16 1 0
14 17 1 0
M END