fragmenstein/demo/mpro_mols/Mpro-x0669.mol
x0669
RDKit 3D
14 15 0 0 0 0 0 0 0 0999 V2000
21.7590 -8.0380 5.7900 Cl 0 0 0 0 0 0 0 0 0 0 0 0
23.5450 -8.0560 5.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2910 -6.7740 6.1420 C 0 0 0 0 0 0 0 0 0 0 0 0
25.6620 -6.7510 6.1530 C 0 0 0 0 0 0 0 0 0 0 0 0
26.4020 -7.9470 5.8150 C 0 0 0 0 0 0 0 0 0 0 0 0
25.6780 -9.2050 5.4610 C 0 0 0 0 0 0 0 0 0 0 0 0
26.4820 -10.4530 5.1210 C 0 0 0 0 0 0 0 0 0 0 0 0
26.8310 -11.1350 6.2270 N 0 0 0 0 0 0 0 0 0 0 0 0
27.8140 -10.5440 6.9750 C 0 0 0 0 0 0 0 0 0 0 0 0
28.2820 -11.3220 8.1930 C 0 0 0 0 0 0 0 0 0 0 0 0
28.2530 -12.7440 8.0750 O 0 0 0 0 0 0 0 0 0 0 0 0
27.4000 -13.2930 7.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
27.1910 -12.4660 5.9030 C 0 0 0 0 0 0 0 0 0 0 0 0
24.2680 -9.2300 5.4480 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
3 4 1 0
4 5 2 0
5 6 1 0
6 7 1 0
7 8 1 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 1 0
8 13 1 0
12 13 1 0
2 14 1 0
6 14 2 0
M END