fragmenstein/demo/mac1_mols/mac-x1494.mol
mac-x1494
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
-2.0200 14.5480 -4.6180 Cl 0 0 0 0 0 0 0 0 0 0 0 0
29.5270 53.7470 4.9460 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-3.0560 14.8050 -3.2950 C 0 0 0 0 0 0 0 0 0 0 0 0
29.2130 52.4720 3.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.3250 15.1620 -3.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
30.1160 52.2870 2.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.2270 15.4130 -2.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
29.8900 51.2840 1.7980 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.7700 15.3340 -1.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
28.7500 50.5040 1.9670 C 0 0 0 0 0 0 0 0 0 0 0 0
-5.4160 15.5030 0.0100 O 0 0 0 0 0 0 0 0 0 0 0 0
28.2350 49.4460 1.1830 O 0 0 0 0 0 0 0 0 0 0 0 0
-4.4280 15.2470 1.0400 C 0 0 0 0 0 0 0 0 0 0 0 0
27.0560 48.9750 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
-4.5310 15.2790 2.2490 O 0 0 0 0 0 0 0 0 0 0 0 0
26.4090 48.0900 1.3700 O 0 0 0 0 0 0 0 0 0 0 0 0
-3.2150 14.9430 0.3620 N 0 0 0 0 0 0 0 0 0 0 0 0
26.7950 49.7600 2.9280 N 0 0 0 0 0 0 0 0 0 0 0 0
-3.4230 14.9820 -1.0410 C 0 0 0 0 0 0 0 0 0 0 0 0
27.8660 50.7080 3.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.5380 14.6900 -2.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
28.0880 51.7240 3.9500 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
2 4 1 0
3 5 2 0
4 6 1 0
5 7 1 0
6 8 1 0
7 9 2 0
8 10 1 0
9 11 1 0
10 12 1 0
11 13 1 0
12 14 1 0
13 15 2 0
14 16 1 0
13 17 1 0
14 18 1 0
9 19 1 0
17 19 1 0
10 20 1 0
18 20 1 0
3 21 1 0
19 21 2 0
4 22 1 0
20 22 1 0
M END