fragmenstein/demo/mpro_mols/Mpro-x0874.mol
x0874
RDKit 3D
13 14 0 0 0 0 0 0 0 0999 V2000
10.2000 3.1190 22.2370 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4130 1.8780 22.2350 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0830 1.3720 21.1820 O 0 0 0 0 0 0 0 0 0 0 0 0
9.0270 1.2230 23.6040 C 0 0 1 0 0 0 0 0 0 0 0 0
7.7030 1.1260 23.7540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3160 -0.3850 23.3440 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6870 -1.0760 23.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6060 -0.3380 23.6920 C 0 0 1 0 0 0 0 0 0 0 0 0
11.0340 -0.4220 23.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0370 0.5040 23.4740 C 0 0 0 0 0 0 0 0 0 0 0 0
13.2940 0.2950 22.8550 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1050 -1.1040 21.8190 S 0 0 0 0 0 0 0 0 0 0 0 0
11.4160 -1.4200 22.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
4 2 1 6
4 5 1 0
5 6 1 0
6 7 1 0
4 8 1 0
7 8 1 0
8 9 1 6
9 10 1 0
10 11 2 0
11 12 1 0
9 13 2 0
12 13 1 0
M END