fragmenstein/demo/mpro_mols/Mpro-x1077.mol
x1077
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
9.8820 1.4980 21.3540 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7410 0.5340 21.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2770 -5.8330 25.4330 O 0 0 0 0 0 0 0 0 0 0 0 0
9.5710 -0.6150 22.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1870 -1.7600 22.3390 N 0 0 0 0 0 0 0 0 0 0 0 0
8.8640 -0.5120 23.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5090 -4.0070 25.2600 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7910 -1.6200 24.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4310 -2.8260 24.4300 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1060 -2.8180 23.1640 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8720 -5.3270 24.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8860 -5.8360 23.6170 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4200 -5.6190 24.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2640 -4.7030 26.2700 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6790 -4.1100 26.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 3 0
2 4 1 0
4 5 2 0
4 6 1 0
6 8 2 0
7 9 1 0
8 9 1 0
5 10 1 0
9 10 2 0
7 11 1 0
11 12 1 0
3 13 1 0
12 13 1 0
3 14 1 0
7 15 1 0
14 15 1 0
M END