fragmenstein/demo/mpro_mols/Mpro-x0177.mol
x0177
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
23.7130 -16.5560 26.0140 N 0 0 0 0 0 0 0 0 0 0 0 0
24.5090 -17.6840 25.5440 C 0 0 0 0 0 0 0 0 0 0 0 0
25.5950 -17.8220 25.9880 O 0 0 0 0 0 0 0 0 0 0 0 0
24.0000 -18.7300 24.5400 C 0 0 2 0 0 0 0 0 0 0 0 0
24.7500 -18.7670 23.2650 C 0 0 0 0 0 0 0 0 0 0 0 0
24.3580 -19.9930 22.4330 C 0 0 0 0 0 0 0 0 0 0 0 0
22.9560 -20.5540 22.6130 N 0 0 0 0 0 0 0 0 0 0 0 0
22.1330 -19.9510 23.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
22.5790 -18.5840 24.2010 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3550 -21.6340 21.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2490 -21.9900 22.0830 O 0 0 0 0 0 0 0 0 0 0 0 0
23.0720 -22.2700 20.7440 N 0 0 0 0 0 0 0 0 0 0 0 0
22.4740 -23.3300 19.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
22.3820 -23.1610 18.5970 C 0 0 0 0 0 0 0 0 0 0 0 0
21.8250 -24.1610 17.8110 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3630 -25.3310 18.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
21.4570 -25.5000 19.7800 C 0 0 0 0 0 0 0 0 0 0 0 0
22.0130 -24.4990 20.5620 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
4 2 1 1
4 5 1 0
5 6 1 0
6 7 1 0
7 8 1 0
4 9 1 0
8 9 1 0
7 10 1 0
10 11 2 0
10 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
16 17 1 0
13 18 1 0
17 18 2 0
M END