fragmenstein/demo/mpro_mols/Mpro-x2193.mol
x2193
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
9.1470 -3.7260 24.7660 N 0 0 0 0 0 0 0 0 0 0 0 0
10.8270 2.6380 23.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2380 1.7010 21.2530 O 0 0 0 0 0 0 0 0 0 0 0 0
9.6790 0.1290 23.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9100 -6.3500 25.8120 N 0 0 0 0 0 0 0 0 0 0 0 0
8.3920 2.3370 22.7530 O 0 0 0 0 0 0 0 0 0 0 0 0
9.8190 -0.9610 22.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6670 -2.2380 22.9140 C 0 0 0 0 0 0 0 0 0 0 0 0
9.3780 -2.4390 24.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2790 -1.3290 25.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4350 -0.0510 24.5990 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9380 -4.8290 24.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1740 -6.1190 24.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1250 -5.2450 26.4030 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8310 -3.9210 26.1890 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6990 1.7660 22.5810 S 0 0 1 0 0 0 0 0 0 0 0 0
4 7 2 0
7 8 1 0
1 9 1 0
8 9 2 0
9 10 1 0
4 11 1 0
10 11 2 0
1 12 1 0
5 13 1 0
12 13 1 0
5 14 1 0
1 15 1 0
14 15 1 0
16 2 1 1
3 16 2 0
4 16 1 0
6 16 2 0
M END