fragmenstein/demo/mpro_mols/Mpro-x0770.mol
x0770
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.6690 -2.6450 21.0180 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9910 -2.6220 18.5830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6820 -4.2230 19.7250 O 0 0 0 0 0 0 0 0 0 0 0 0
13.8940 -1.1570 21.4790 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6.3900 -3.2270 19.8260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3720 -2.2630 23.2760 N 0 0 0 0 0 0 0 0 0 0 0 0
6.3280 -3.2510 22.3060 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5870 -3.4890 23.1090 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6010 -2.5540 24.0230 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7020 -1.5410 23.8300 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7610 -0.3860 24.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7780 0.5330 24.3970 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7540 0.3120 23.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6860 -0.8360 22.6900 C 0 0 0 0 0 0 0 0 0 0 0 0
11.6790 -1.7560 22.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6490 -1.6400 21.9790 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3640 -1.3790 21.2260 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6530 -3.2700 18.2840 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 7 1 0
6 8 1 0
7 8 1 0
6 9 1 0
9 10 1 0
10 11 2 0
11 12 1 0
12 13 2 0
4 14 1 0
13 14 1 0
10 15 1 0
14 15 2 0
6 16 1 0
1 17 1 0
16 17 1 0
2 18 1 0
M END