fragmenstein/demo/mpro_mols/Mpro-x1226.mol
x1226
RDKit 3D
10 10 0 0 0 0 0 0 0 0999 V2000
22.8790 -20.2580 23.3300 N 0 0 0 0 0 0 0 0 0 0 0 0
23.8320 -18.0390 24.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9550 -18.7840 23.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6420 -24.1350 24.0690 N 0 0 0 0 0 0 0 0 0 0 0 0
21.6320 -20.5910 24.0930 C 0 0 0 0 0 0 0 0 0 0 0 0
20.2720 -23.6690 22.8380 N 0 0 0 0 0 0 0 0 0 0 0 0
21.2140 -22.0050 23.9080 C 0 0 0 0 0 0 0 0 0 0 0 0
20.6070 -22.4390 22.7340 N 0 0 0 0 0 0 0 0 0 0 0 0
21.2500 -23.0960 24.7830 C 0 0 0 0 0 0 0 0 0 0 0 0
20.4260 -25.5260 24.5080 C 0 0 0 0 0 0 0 0 0 0 0 0
1 3 1 0
2 3 1 0
1 5 1 0
4 6 1 0
5 7 1 0
6 8 2 0
7 8 1 0
4 9 1 0
7 9 2 0
4 10 1 0
M END