fragmenstein/demo/mpro_mols/Mpro-x1308.mol
x1308
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
6.7130 -5.0530 21.7990 N 0 0 0 0 0 0 0 0 0 0 0 0
7.9440 -3.5870 20.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9020 -4.6500 19.7340 O 0 0 0 0 0 0 0 0 0 0 0 0
0.7260 -1.3070 26.2220 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.7660 -4.4780 20.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9190 -5.4280 24.4530 N 0 0 0 0 0 0 0 0 0 0 0 0
6.4140 -5.0610 26.8280 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7850 -6.1300 22.1490 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7750 -6.7880 26.1450 O 0 0 0 0 0 0 0 0 0 0 0 0
4.9820 -5.7560 23.3670 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7500 -4.2720 24.1010 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5800 -4.6560 22.9100 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0390 -4.3070 26.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3250 -2.9960 26.3860 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3020 -2.0670 26.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0160 -2.4710 26.1590 C 0 0 0 0 0 0 0 0 0 0 0 0
1.7240 -3.7760 25.8350 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7480 -4.7010 25.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3450 -5.4890 25.9830 S 0 0 2 0 0 0 0 0 0 0 0 0
8.2520 -3.4270 18.5250 R 0 0 0 0 0 0 0 0 0 0 0 0
1 5 1 0
2 5 1 0
3 5 2 0
1 8 1 0
6 10 1 0
8 10 1 0
6 11 1 0
1 12 1 0
11 12 1 0
13 14 2 0
14 15 1 0
4 16 1 0
15 16 2 0
16 17 1 0
13 18 1 0
17 18 2 0
6 19 1 0
7 19 2 0
9 19 2 0
19 13 1 6
2 20 1 0
M END