fragmenstein/demo/mpro_mols/Mpro-x1086.mol
x1086
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
6.8050 2.6510 -6.5730 N 0 0 0 0 0 0 0 0 0 0 0 0
4.3830 -2.0690 -8.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5690 2.2590 -5.7840 O 0 0 0 0 0 0 0 0 0 0 0 0
5.8290 -1.8080 -8.1840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3740 0.6800 -5.1870 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7010 -2.8770 -8.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0740 -2.6820 -8.2490 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6030 -1.4420 -7.8570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7280 -0.3840 -7.6370 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3410 -0.5390 -7.7990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4790 0.6920 -7.6110 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9040 -3.6890 -8.5080 F 0 0 0 0 0 0 0 0 0 0 0 0
5.7350 1.5320 -6.1210 S 0 0 2 0 0 0 0 0 0 0 0 0
2 4 1 0
4 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
4 10 1 0
9 10 2 0
10 11 1 0
7 12 1 0
13 1 1 6
3 13 2 0
5 13 2 0
11 13 1 0
M END