fragmenstein/demo/mpro_mols/Mpro-x0708.mol
x0708
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
6.9680 -4.4570 20.9070 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7730 -2.6650 19.4700 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6850 -3.7880 19.1790 O 0 0 0 0 0 0 0 0 0 0 0 0
6.7110 -3.6680 19.8540 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8780 -4.0900 21.8800 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6810 -2.4430 22.8250 O 0 0 0 0 0 0 0 0 0 0 0 0
7.7780 -2.9170 22.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0150 -2.1570 22.8080 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2150 -2.1210 22.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1570 -1.2200 22.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5130 -0.9250 22.0280 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3610 -0.1270 23.0060 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5980 0.9740 23.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4850 0.4200 24.5020 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7180 -0.5990 23.7130 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1320 -1.0900 24.1880 S 0 0 0 0 0 0 0 0 0 0 0 0
8.9750 -3.3650 18.2920 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 5 1 0
5 7 1 0
6 7 2 0
7 8 1 0
8 9 2 0
9 10 1 0
10 11 1 0
11 12 1 0
12 13 1 0
13 14 1 0
10 15 2 0
14 15 1 0
8 16 1 0
15 16 1 0
2 17 1 0
M END