fragmenstein/demo/mpro_mols/Mpro-x0161.mol
x0161
RDKit 3D
14 14 0 0 0 0 0 0 0 0999 V2000
13.6050 -2.4160 24.3220 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1170 -1.1200 24.5710 O 0 0 0 0 0 0 0 0 0 0 0 0
13.2380 -0.1860 23.5320 C 0 0 0 0 0 0 0 0 0 0 0 0
13.9350 -0.4020 22.6030 O 0 0 0 0 0 0 0 0 0 0 0 0
12.4800 1.1370 23.6130 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2610 1.2070 24.2730 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5870 2.4180 24.3500 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1380 3.5520 23.7620 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3570 3.4780 23.1020 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0250 2.2710 23.0320 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2760 5.1400 23.8560 S 0 0 2 0 0 0 0 0 0 0 0 0
11.1510 6.2430 23.4470 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9860 5.4750 25.2520 O 0 0 0 0 0 0 0 0 0 0 0 0
8.8550 5.1150 22.9090 N 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 1 0
3 4 2 0
3 5 1 0
5 6 2 0
6 7 1 0
7 8 2 0
8 9 1 0
5 10 1 0
9 10 2 0
8 11 1 0
11 12 2 0
11 13 2 0
11 14 1 6
M END