fragmenstein/demo/mpro_mols/Mpro-x2908.mol
x2908
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.3900 0.5890 17.3970 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8630 1.0210 21.4090 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9610 0.9270 20.8010 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8830 -1.6060 21.4760 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.3620 0.7930 20.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2330 -0.5590 20.7970 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7190 1.3820 18.9220 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9570 -0.7920 22.2880 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2610 1.2610 17.6570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0070 -0.0010 18.4270 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5370 0.0640 19.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4200 -0.0690 21.2610 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2620 -0.5750 22.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5470 0.4050 23.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8630 0.7630 23.9680 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8990 0.1510 23.2770 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5950 -0.8370 22.3590 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2950 -1.2210 22.1050 C 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0
5 7 2 0
1 9 2 0
7 9 1 0
1 10 1 0
5 11 1 0
6 11 1 0
10 11 2 0
3 12 2 0
6 12 1 0
8 12 1 0
8 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
4 17 1 0
16 17 1 0
13 18 1 0
17 18 2 0
M END