fragmenstein/demo/mpro_mols/Mpro-x1418.mol
x1418
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
6.8760 -2.5430 20.8310 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1430 -2.5130 18.3820 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8560 -4.1140 19.5980 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5530 -3.1040 19.6490 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7140 -2.2680 22.9890 N 0 0 0 0 0 0 0 0 0 0 0 0
7.5910 -1.2870 21.0330 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9080 -1.5850 21.7060 C 0 0 0 0 0 0 0 0 0 0 0 0
10.0180 -2.6210 23.5710 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9840 -1.4840 23.6090 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0750 -1.2400 22.7670 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7610 -0.0580 23.1450 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0820 0.6620 24.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9290 -3.4900 22.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6130 -3.1940 22.1060 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8510 -0.2520 24.7970 S 0 0 0 0 0 0 0 0 0 0 0 0
8.7950 -3.2060 18.1510 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 2 0
1 6 1 0
5 7 1 0
6 7 1 0
5 8 1 0
8 9 1 0
9 10 2 0
10 11 1 0
11 12 2 0
5 13 1 0
1 14 1 0
13 14 1 0
9 15 1 0
12 15 1 0
2 16 1 0
M END