fragmenstein/demo/mpro_mols/Mpro-x11011.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
10.4270 0.7730 22.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2680 0.5680 17.3890 N 0 0 0 0 0 0 0 0 0 0 0 0
12.5670 -0.9160 22.5810 C 0 0 0 0 0 0 0 0 0 0 0 0
5.1220 1.0140 19.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7770 0.3180 23.1620 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5120 1.3200 21.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2470 -0.4470 22.3040 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6770 1.6940 18.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9880 -0.8080 21.7830 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7430 -0.6540 20.9280 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2880 1.1830 20.9380 O 0 0 0 0 0 0 0 0 0 0 0 0
6.1620 0.0840 19.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0810 0.0020 21.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6770 -0.0980 18.4730 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6930 1.1570 23.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3240 -1.3070 22.1280 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2800 1.4540 17.5560 C 0 0 0 0 0 0 0 0 0 0 0 0
13.8650 -2.0690 22.5630 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5 3 1 0
6 4 1 0
7 1 2 0
8 4 1 0
9 7 1 0
12 4 2 0
12 10 1 0
13 11 2 0
13 10 1 0
13 9 1 0
14 12 1 0
14 2 2 0
15 1 1 0
15 5 2 0
16 7 1 0
16 3 2 0
17 8 2 0
17 2 1 0
18 3 1 0
M END