fragmenstein/demo/mpro_mols/Mpro-x1336.mol
x1336
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
7.4150 -2.4510 23.7480 N 0 0 0 0 0 0 0 0 0 0 0 0
6.0060 -5.1420 29.1270 C 0 0 0 0 0 0 0 0 0 0 0 0
8.5710 -1.0100 25.4000 O 0 0 0 0 0 0 0 0 0 0 0 0
7.0200 -4.7670 28.0750 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1510 -3.3450 21.1010 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1370 -1.4060 25.5820 O 0 0 0 0 0 0 0 0 0 0 0 0
8.1670 -5.5180 27.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7390 -4.2940 19.6110 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1010 -5.1780 26.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9170 -4.0680 26.1080 C 0 0 0 0 0 0 0 0 0 0 0 0
9.9690 -3.7590 25.0770 C 0 0 0 0 0 0 0 0 0 0 0 0
7.7580 -3.3050 26.3010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8230 -3.6590 27.2640 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8330 -1.5610 22.6530 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2200 -2.4070 21.4660 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6930 -4.1630 22.2250 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2630 -3.2780 23.3620 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6300 -3.4920 19.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2070 -2.6490 18.7570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4500 -1.8900 25.2870 S 0 0 1 0 0 0 0 0 0 0 0 0
8.8130 -3.3220 18.2480 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
4 7 2 0
7 9 1 0
9 10 2 0
10 11 1 0
10 12 1 0
4 13 1 0
12 13 2 0
1 14 1 0
5 15 1 0
14 15 1 0
5 16 1 0
1 17 1 0
16 17 1 0
5 18 1 0
8 18 2 0
18 19 1 0
1 20 1 0
3 20 2 0
6 20 2 0
20 12 1 1
19 21 1 0
M END