fragmenstein/demo/mpro_mols/Mpro-x11044.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
7.7400 -0.3460 21.3140 N 0 0 0 0 0 0 0 0 0 0 0 0
5.5590 1.0330 18.0650 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2960 -0.0500 23.1570 C 0 0 1 0 0 0 0 0 0 0 0 0
8.8380 0.3060 21.7460 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8370 -0.2330 23.1970 C 0 0 2 0 0 0 0 0 0 0 0 0
12.8840 -1.4270 22.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3880 -1.6950 23.6950 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9000 -0.6190 24.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7750 0.8510 20.4450 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3540 -0.1110 18.8960 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9560 0.1040 20.2160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0690 1.2930 19.3310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3200 1.2300 21.8310 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8140 1.0820 24.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6850 0.3520 17.8350 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3770 1.2010 21.1130 O 0 0 0 0 0 0 0 0 0 0 0 0
11.3570 -1.3180 22.2440 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3750 -0.4900 24.6150 C 0 0 0 0 0 0 0 0 0 0 0 0
4 1 1 0
4 3 1 0
5 3 1 0
7 6 1 0
8 7 1 0
11 10 1 0
11 9 2 0
11 1 1 0
12 9 1 0
12 2 2 0
13 9 1 0
3 14 1 1
15 10 2 0
15 2 1 0
16 4 2 0
5 17 1 6
17 6 1 0
18 5 1 0
18 8 1 0
M END