fragmenstein/demo/mpro_mols/Mpro-6xb1.mol
RDKit 3D
8 7 0 0 0 0 0 0 0 0999 V2000
6.3410 -5.0300 16.9440 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7520 -5.3350 16.8540 C 0 0 2 0 0 0 0 0 0 0 0 0
7.9750 -6.6850 16.1940 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2540 -7.6490 16.3860 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4390 -5.2880 18.2290 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3770 -3.6690 18.9300 S 0 0 0 0 0 0 0 0 0 0 0 0
6.7670 -3.5910 19.5870 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3490 -4.7790 20.4050 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 1
3 2 1 0
4 3 1 0
5 2 1 0
6 5 1 0
7 6 1 0
8 7 1 0
M END