fragmenstein/demo/mpro_mols/Mpro-x3324.mol
x3324
RDKit 3D
15 15 0 0 0 0 0 0 0 0999 V2000
8.7340 -2.4850 21.5960 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7700 -2.8420 23.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5020 -3.4820 23.9120 O 0 0 0 0 0 0 0 0 0 0 0 0
13.9360 -1.7190 21.3400 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.9580 -1.8220 22.8780 C 0 0 1 0 0 0 0 0 0 0 0 0
7.9960 -0.6520 20.5180 O 0 0 0 0 0 0 0 0 0 0 0 0
8.2290 -1.8580 20.5280 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9930 -2.6840 19.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3320 -1.1850 22.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5510 -0.0820 23.7900 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7830 0.5540 23.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8230 0.0820 23.0150 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6100 -1.0420 22.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3850 -1.6760 22.2080 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2630 -4.3180 19.5720 R 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
1 5 1 0
5 2 1 1
1 7 1 0
6 7 2 0
7 8 1 0
5 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
4 13 1 0
12 13 1 0
9 14 1 0
13 14 2 0
8 15 1 0
M END