fragmenstein/demo/mpro_mols/Mpro-x0748.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
13.9690 -1.6460 21.4250 Cl 0 0 0 0 0 0 0 0 0 0 0 0
8.1020 -2.4020 23.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9110 -2.0880 22.4610 C 0 0 1 0 0 0 0 0 0 0 0 0
8.0890 -1.2980 21.5350 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9400 -1.5930 20.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4170 -0.8130 19.4410 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4750 -2.9120 19.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2260 -1.3930 22.7650 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3240 -0.3890 23.7200 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5410 0.2200 23.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6740 -0.1530 23.2780 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5670 -1.1450 22.3280 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3650 -1.7590 22.0730 C 0 0 0 0 0 0 0 0 0 0 0 0
1 12 1 0
12 11 1 0
12 13 2 0
3 2 1 1
3 4 1 0
3 8 1 0
4 5 1 0
8 9 2 0
8 13 1 0
5 6 2 0
5 7 1 0
9 10 1 0
10 11 2 0
M END