fragmenstein/demo/mpro_mols/Mpro-x0689.mol
x0689
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.3470 -5.0360 21.6550 N 0 0 0 0 0 0 0 0 0 0 0 0
7.6020 -3.4500 20.2230 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6680 -4.6810 19.5500 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4710 -4.4460 20.4460 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2910 -5.2370 24.2680 N 0 0 0 0 0 0 0 0 0 0 0 0
3.8000 -6.2820 25.9340 O 0 0 0 0 0 0 0 0 0 0 0 0
3.8210 -2.1700 25.9690 S 0 0 0 0 0 0 0 0 0 0 0 0
7.1880 -4.7730 22.8240 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5410 -4.6870 26.6620 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3410 -4.2550 23.9540 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4460 -5.5460 23.0990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3150 -6.0260 21.9640 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3880 -3.7840 25.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0780 -3.8970 25.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
1.4280 -2.6390 25.2410 C 0 0 0 0 0 0 0 0 0 0 0 0
2.2140 -1.6530 25.7350 C 0 0 0 0 0 0 0 0 0 0 0 0
4.5460 -5.0850 25.7140 S 0 0 1 0 0 0 0 0 0 0 0 0
8.2830 -3.3700 18.5400 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 8 1 0
5 10 1 0
8 10 1 0
5 11 1 0
1 12 1 0
11 12 1 0
7 13 1 0
13 14 2 0
14 15 1 0
7 16 1 0
15 16 2 0
5 17 1 0
6 17 2 0
9 17 2 0
17 13 1 6
2 18 1 0
M END