fragmenstein/demo/mpro_mols/Mpro-x11025.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
13.5800 -1.6760 21.4460 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.3510 -0.8590 22.3690 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7250 0.0880 23.2940 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7450 0.6650 24.0870 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4140 0.3230 23.9120 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0280 -1.2090 22.1810 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0380 -0.5890 22.9380 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5820 -0.7990 22.6000 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2220 -0.0340 21.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9510 0.8380 20.8720 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0360 -0.3980 20.7700 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5900 0.1230 19.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5840 1.0330 19.3140 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7390 1.8300 20.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0700 -0.2400 18.2810 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4010 0.3910 17.3250 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4870 1.1660 17.9800 N 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
17 13 1 0
M END