fragmenstein/demo/mpro_mols/Mpro-x10812.mol
RDKit 3D
12 13 0 0 0 0 0 0 0 0999 V2000
5.6700 -3.3810 23.5200 C 0 0 2 0 0 0 0 0 0 0 0 0
5.9110 -4.1250 22.3470 C 0 0 2 0 0 0 0 0 0 0 0 0
5.1970 -5.3630 22.4840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1530 -4.9730 19.5630 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3090 -2.1700 23.7680 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8250 -4.1250 24.3070 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4850 -2.4140 21.6740 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8150 -3.6080 21.4030 C 0 0 2 0 0 0 0 0 0 0 0 0
7.2300 -1.7050 22.8400 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9670 -4.2410 20.0630 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5560 -5.3140 23.6770 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2240 -3.8220 18.9240 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
2 3 1 1
1 5 1 1
6 1 1 0
8 7 1 0
8 2 1 0
9 7 1 0
9 5 1 0
8 10 1 6
10 4 1 0
11 6 1 0
11 3 1 0
10 12 1 0
M END