fragmenstein/demo/mpro_mols/Mpro-x11013.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
13.8310 -1.7830 21.3510 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.5970 -1.0080 22.3120 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9690 -0.0950 23.2760 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9890 0.4210 24.1120 C 0 0 0 0 0 0 0 0 0 0 0 0
10.6620 0.0570 23.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2770 -1.3730 22.1250 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2870 -0.8200 22.9340 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8270 -1.0710 22.6300 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3620 -0.1880 21.4870 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0540 0.7340 21.0620 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1460 -0.5020 20.9870 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4810 0.1370 19.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3230 0.9030 20.1500 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7940 1.1330 21.5430 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8920 0.0420 18.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2550 0.6130 17.5730 N 0 0 0 0 0 0 0 0 0 0 0 0
5.1270 1.3440 17.8120 N 0 0 0 0 0 0 0 0 0 0 0 0
4.6830 1.4790 19.0570 C 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
3 2 2 0
4 3 1 0
5 4 2 0
6 2 1 0
7 5 1 0
7 6 2 0
8 7 1 0
9 8 1 0
10 9 2 0
11 9 1 0
12 11 1 0
13 12 2 0
14 13 1 0
15 12 1 0
16 15 2 0
17 16 1 0
18 17 2 0
18 13 1 0
M END