fragmenstein/demo/mpro_mols/Mpro-x10201.mol
x10201
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
7.4700 -0.6150 20.7690 N 0 0 0 0 0 0 0 0 0 0 0 0
12.8590 -1.0820 22.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1890 0.8310 20.9140 O 0 0 0 0 0 0 0 0 0 0 0 0
14.0070 -1.9010 21.0170 Cl 0 0 0 0 0 0 0 0 0 0 0 0
13.3110 -0.1820 22.9710 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7880 0.6730 17.4100 N 0 0 0 0 0 0 0 0 0 0 0 0
12.3860 0.4150 23.8130 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0370 0.1230 23.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5870 -0.7620 22.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1110 -0.9840 22.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6090 -0.1710 21.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7880 0.0160 19.7180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6250 0.7440 19.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0520 1.4280 18.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6710 1.3710 17.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3270 0.0110 18.4350 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5190 -1.3820 21.8970 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
2 5 2 0
5 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
1 11 1 0
3 11 2 0
10 11 1 0
1 12 1 0
12 13 1 0
13 14 2 0
6 15 2 0
14 15 1 0
6 16 1 0
12 16 2 0
2 17 1 0
9 17 2 0
M END