fragmenstein/demo/mac1_mols/mac-x0371.mol
mac-x0371
RDKit 3D
24 24 0 0 0 0 0 0 0 0999 V2000
3.0230 12.7890 -4.5030 Cl 0 0 0 0 0 0 0 0 0 0 0 0
20.9830 47.8750 13.0490 Cl 0 0 0 0 0 0 0 0 0 0 0 0
-2.2520 14.0860 -4.0110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
22.1800 46.0080 8.3710 Cl 0 0 0 0 0 0 0 0 0 0 0 0
0.4730 12.1490 -1.8240 O 0 0 0 0 0 0 0 0 0 0 0 0
23.8570 45.3450 10.8370 O 0 0 0 0 0 0 0 0 0 0 0 0
0.1360 11.4650 -2.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
22.7220 44.8500 11.1510 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1360 10.2310 -2.7040 O 0 0 0 0 0 0 0 0 0 0 0 0
22.5730 43.5970 11.3960 O 0 0 0 0 0 0 0 0 0 0 0 0
0.0330 12.1180 -4.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5050 45.7830 11.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4120 13.6010 -4.2820 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5490 47.1720 10.6230 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7320 14.0020 -4.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3000 48.2580 11.3790 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0590 15.3260 -4.4970 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3020 49.5320 10.9000 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0600 16.2660 -4.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5610 49.7430 9.5650 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2500 15.8910 -4.3160 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8550 48.6630 8.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.5660 14.5640 -4.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8220 47.4040 9.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
5 7 1 0
6 8 1 0
7 9 2 0
8 10 1 0
7 11 1 0
8 12 1 0
11 13 1 0
12 14 1 0
1 15 1 0
13 15 2 0
2 16 1 0
14 16 1 0
15 17 1 0
16 18 1 0
17 19 2 0
18 20 1 0
19 21 1 0
20 22 1 0
3 23 1 0
13 23 1 0
21 23 2 0
4 24 1 0
14 24 1 0
22 24 1 0
M END