fragmenstein/demo/mpro_mols/Mpro-x1132.mol
x1132
RDKit 3D
15 16 0 0 0 0 0 0 0 0999 V2000
7.3900 -23.3170 -1.3150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0710 -21.8430 -0.9990 C 0 0 1 0 0 0 0 0 0 0 0 0
7.6580 -20.9390 -2.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1500 -19.5900 -2.1560 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6510 -18.6160 -3.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1950 -17.5200 -3.1300 O 0 0 0 0 0 0 0 0 0 0 0 0
8.7640 -18.9760 -4.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2740 -17.7540 -4.6880 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9830 -16.8370 -4.0550 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2670 -15.8290 -4.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6830 -16.1950 -6.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0860 -17.3600 -5.9810 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1060 -19.2820 -1.2100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1500 -20.4190 -0.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6750 -21.7300 -0.8700 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 6
2 3 1 0
3 4 1 0
4 5 1 0
5 6 2 0
5 7 1 0
7 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
8 12 1 0
11 12 2 0
4 13 1 0
13 14 1 0
2 15 1 0
14 15 1 0
M END