fragmenstein/demo/mpro_mols/Mpro-x2779.mol
x2779
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
6.9540 -2.5860 20.8710 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1690 -2.5020 18.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8870 -4.1120 19.6130 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5820 -3.1150 19.6880 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8220 -2.3410 23.0140 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6830 -3.2440 22.1540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9990 -3.5580 22.8660 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0820 -2.6510 23.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0700 -1.5230 23.6790 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1450 -1.3160 22.7690 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8360 -0.1130 23.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3190 0.5430 24.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0710 -1.7310 21.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7640 -1.3740 21.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9840 -0.2630 24.8170 S 0 0 0 0 0 0 0 0 0 0 0 0
8.7940 -3.2440 18.1580 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 6 1 0
5 7 1 0
6 7 1 0
5 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
5 13 1 0
1 14 1 0
13 14 1 0
9 15 1 0
12 15 1 0
2 16 1 0
M END