fragmenstein/demo/mpro_mols/Mpro-6ynq.mol
RDKit 3D
12 13 0 0 0 0 0 0 0 0999 V2000
6.2810 -0.4080 18.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2910 0.5390 19.5590 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7690 -2.3980 18.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7080 -1.6780 19.3380 C 0 0 1 0 0 0 0 0 0 0 0 0
7.1910 -1.4430 20.7470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1100 -0.8110 21.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2300 0.3210 20.9510 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3700 1.1200 21.7260 C 0 0 0 0 0 0 0 0 0 0 0 0
3.5940 2.1130 21.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6640 2.3230 19.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5140 1.5330 18.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6670 -0.1000 17.6320 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
4 3 1 6
4 1 1 0
5 4 1 0
6 5 1 0
7 2 2 0
7 6 1 0
8 7 1 0
9 8 2 0
10 9 1 0
11 10 2 0
11 2 1 0
12 1 2 0
M END