fragmenstein/demo/mpro_mols/Mpro-x2119.mol
x2119
RDKit 3D
8 8 0 0 0 0 0 0 0 0999 V2000
6.0410 -5.0990 19.7050 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9000 -4.2150 20.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5020 -3.3130 21.1460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3090 -3.3070 21.7330 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3740 -2.2970 22.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2970 -2.3580 21.6680 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5870 -1.7110 22.6360 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1930 -3.6460 18.8550 R 0 0 0 0 0 0 0 0 0 0 0 0
1 2 2 0
2 3 1 0
3 4 2 0
4 5 1 0
3 6 1 0
5 7 2 0
6 7 1 0
2 8 1 0
M END