fragmenstein/demo/mpro_mols/Mpro-x10474.mol
RDKit 3D
16 16 0 0 0 0 0 0 0 0999 V2000
9.6230 0.9960 21.0670 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1040 0.0010 21.5550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6590 -0.6500 22.8000 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8440 -1.5810 22.5160 C 0 0 2 0 0 0 0 0 0 0 0 0
10.9530 -2.6280 23.6210 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1620 -0.7720 22.3100 C 0 0 2 0 0 0 0 0 0 0 0 0
13.3480 -1.6350 21.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5130 0.0860 23.5150 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9850 -0.5710 21.0730 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1520 -0.0250 20.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9310 0.5950 20.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5330 0.8210 21.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1230 1.0530 19.3830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5510 0.9260 18.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7160 0.3680 17.7280 N 0 0 0 0 0 0 0 0 0 0 0 0
7.4920 -0.1020 18.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 2 0
3 2 1 0
4 3 1 0
4 5 1 1
6 4 1 0
6 7 1 1
8 6 1 0
9 2 1 0
10 9 1 0
11 10 2 0
12 11 1 0
13 11 1 0
14 13 2 0
15 14 1 0
16 15 2 0
16 10 1 0
M END