fragmenstein/demo/mpro_mols/Mpro-x12080.mol
RDKit 3D
13 13 0 0 0 0 0 0 0 0999 V2000
6.1160 -5.0930 19.6930 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0140 -4.1840 19.8630 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9230 -3.3880 21.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0250 -2.6900 21.4700 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9600 -1.9990 22.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0670 -1.3770 23.0640 O 0 0 0 0 0 0 0 0 0 0 0 0
10.2580 -1.4300 22.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8270 -1.9570 23.4040 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7820 -3.4600 21.8570 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7770 -2.7710 22.9940 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7950 -2.9140 23.9130 O 0 0 0 0 0 0 0 0 0 0 0 0
3.7170 -3.8110 23.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4080 -3.6990 18.7530 S 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 2 0
5 4 1 0
6 5 1 0
7 6 1 0
8 5 2 0
9 3 1 0
10 9 2 0
10 8 1 0
11 10 1 0
12 11 1 0
2 13 1 0
M END