fragmenstein/demo/mpro_mols/Mpro-x3351.mol
x3351
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
10.0760 25.1920 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0
10.2520 23.8380 -0.2400 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7980 25.7910 -0.1100 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1140 23.6920 1.3500 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6510 24.8680 0.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0870 24.6500 1.4410 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0260 23.2680 0.0470 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2200 22.2990 -0.5370 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3690 22.0370 -1.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3040 22.7550 -2.6040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1130 23.7240 -2.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9750 23.9910 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4290 22.5060 -3.9360 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 3 1 0
3 5 1 0
4 6 1 0
5 6 2 0
4 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
5 12 1 0
7 12 1 0
11 12 2 0
10 13 1 0
M END