fragmenstein/demo/mpro_mols/Mpro-6xa4.mol
RDKit 3D
8 7 0 0 0 0 0 0 0 0999 V2000
-0.3670 4.0080 -6.0110 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0840 3.6960 -5.0920 O 0 0 0 0 0 0 0 0 0 0 0 0
-1.1510 4.3540 -7.2920 C 0 0 2 0 0 0 0 0 0 0 0 0
-1.8460 3.0130 -7.6810 C 0 0 0 0 0 0 0 0 0 0 0 0
-2.7250 3.1480 -8.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
-3.5470 1.5150 -9.2000 S 0 0 0 0 0 0 0 0 0 0 0 0
-5.3280 1.8600 -9.0000 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.2530 4.8680 -8.3840 N 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 1 1 0
4 3 1 0
5 4 1 0
6 5 1 0
7 6 1 0
3 8 1 6
M END