fragmenstein/demo/mpro_mols/Mpro-x10606.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
8.6370 -1.4190 23.3910 S 0 0 1 0 0 0 0 0 0 0 0 0
12.7540 0.4430 23.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8740 -5.3600 25.2320 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2980 -3.5880 26.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1890 -1.2740 22.4590 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6950 -0.3520 23.2340 O 0 0 0 0 0 0 0 0 0 0 0 0
7.4750 -2.6450 27.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8100 0.9630 23.9870 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6410 -4.8480 27.2190 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2550 -0.7250 23.3240 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4230 -1.9580 24.9160 N 0 0 0 0 0 0 0 0 0 0 0 0
8.5870 -2.5370 22.5000 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7640 -3.2290 25.4630 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5580 0.3810 24.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5490 -4.1500 24.7630 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4330 -0.6790 22.3760 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4160 -5.6870 26.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6410 -1.3890 21.3440 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6 1 2 0
7 4 1 0
8 2 2 0
9 4 1 0
10 1 1 0
10 5 1 0
1 11 1 1
12 1 2 0
13 11 1 0
13 4 2 0
14 10 2 0
14 8 1 0
15 13 1 0
15 3 2 0
16 5 2 0
16 2 1 0
17 9 2 0
17 3 1 0
18 16 1 0
M END