fragmenstein/demo/mpro_mols/Mpro-x0072.mol
x0072
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
6.4330 -4.9890 26.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0940 -4.3970 26.1490 S 0 0 2 0 0 0 0 0 0 0 0 0
9.0810 -5.4820 26.1630 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6400 -3.5530 27.1980 O 0 0 0 0 0 0 0 0 0 0 0 0
8.0630 -3.5710 24.6590 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3170 -3.0640 24.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2140 -1.7820 23.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6090 -1.1800 23.3950 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9160 -0.1350 24.2590 C 0 0 0 0 0 0 0 0 0 0 0 0
12.2070 0.3680 24.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1860 -0.1850 23.4750 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8760 -1.2370 22.6220 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5880 -1.7300 22.5910 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
2 3 2 0
2 4 2 0
2 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 2 0
11 12 1 0
8 13 1 0
12 13 2 0
M END