fragmenstein/demo/mpro_mols/Mpro-x11473.mol
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
13.5630 -1.8070 21.3990 Cl 0 0 0 0 0 0 0 0 0 0 0 0
12.3640 -0.9320 22.3100 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7720 0.0400 23.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8120 0.6980 23.9450 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4690 0.3970 23.7820 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0270 -1.2450 22.1350 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0600 -0.5630 22.8670 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5900 -0.7810 22.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1870 -0.0020 21.3460 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7740 1.0220 21.0010 O 0 0 0 0 0 0 0 0 0 0 0 0
7.1120 -0.5070 20.6680 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6450 0.0350 19.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6520 0.9890 19.3570 N 0 0 0 0 0 0 0 0 0 0 0 0
4.9700 1.7090 20.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0680 -0.2510 18.2130 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3510 0.4920 17.3040 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5150 1.2070 18.0280 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 1 0
14 13 1 0
15 12 2 0
16 15 1 0
17 16 2 0
17 13 1 0
M END