fragmenstein/demo/mpro_mols/Mpro-x2764.mol
x2764
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
8.5220 -1.2220 21.4650 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2830 -1.3170 20.9730 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5570 -2.2810 21.2050 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9780 -2.0940 22.5270 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5960 -1.3020 22.7170 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3710 1.3060 21.9140 O 0 0 0 0 0 0 0 0 0 0 0 0
10.3470 -1.7460 23.0040 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8330 4.4300 22.5060 N 0 0 0 0 0 0 0 0 0 0 0 0
11.4330 -1.5560 22.1320 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7420 -1.6120 24.3020 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7890 -0.1820 20.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8080 -0.4080 18.7480 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1230 0.4360 17.8890 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4040 1.5000 18.3870 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4150 1.7810 19.7440 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1460 0.9700 20.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6640 1.8310 22.2660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7310 3.2970 22.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3920 -1.2760 24.3750 S 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
1 4 1 0
4 7 1 0
5 9 2 0
7 9 1 0
7 10 2 0
2 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
6 16 1 0
11 16 1 0
15 16 2 0
6 17 1 0
8 18 3 0
17 18 1 0
5 19 1 0
10 19 1 0
M END