fragmenstein/demo/mpro_mols/Mpro-x2643.mol
x2643
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
7.1340 -0.7060 20.6910 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0510 0.2130 23.6860 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9590 0.6020 21.0690 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7150 0.6250 23.7240 Cl 0 0 0 0 0 0 0 0 0 0 0 0
11.1080 0.5680 24.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4960 0.8430 17.4080 N 0 0 0 0 0 0 0 0 0 0 0 0
9.8520 0.0420 24.2520 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8570 -0.6970 23.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6810 -1.3520 22.4290 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2810 -0.3910 21.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4900 0.0280 19.6720 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2390 0.6010 19.8780 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6310 1.2940 18.8440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2910 1.3810 17.6330 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0780 0.1860 18.4180 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4460 -0.7610 22.4100 S 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
2 5 2 0
5 7 1 0
7 8 2 0
8 9 1 0
1 10 1 0
3 10 2 0
9 10 1 0
1 11 1 0
11 12 1 0
12 13 2 0
6 14 2 0
13 14 1 0
6 15 1 0
11 15 2 0
2 16 1 0
8 16 1 0
M END