fragmenstein/demo/mpro_mols/Mpro-x0786.mol
x0786
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.8210 -4.2960 21.9280 N 0 0 0 0 0 0 0 0 0 0 0 0
7.7460 -4.7510 19.8500 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4300 -4.2290 20.1290 O 0 0 0 0 0 0 0 0 0 0 0 0
6.5260 -4.3940 20.6340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.0300 -6.6460 23.9200 N 0 0 0 0 0 0 0 0 0 0 0 0
3.7300 -7.8410 24.7980 O 0 0 0 0 0 0 0 0 0 0 0 0
5.9420 -4.4360 23.0140 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9300 -3.4220 23.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0660 -3.5090 25.0340 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2170 -4.5950 25.1600 C 0 0 0 0 0 0 0 0 0 0 0 0
4.2240 -5.6130 24.2140 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0860 -5.5270 23.1200 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2970 -6.7860 24.3380 C 0 0 0 0 0 0 0 0 0 0 0 0
1.5220 -5.4440 23.2460 C 0 0 0 0 0 0 0 0 0 0 0 0
0.4270 -4.7940 24.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
-0.1230 -7.2690 24.9240 C 0 0 0 0 0 0 0 0 0 0 0 0
1.0260 -7.7090 24.0460 C 0 0 0 0 0 0 0 0 0 0 0 0
-1.0100 -5.8580 24.2460 S 0 0 0 0 0 0 0 0 0 0 0 0
8.1940 -3.4280 18.7100 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 7 1 0
7 8 2 0
8 9 1 0
9 10 2 0
10 11 1 0
7 12 1 0
11 12 2 0
5 13 1 0
6 13 2 0
11 13 1 0
5 14 1 0
14 15 1 0
5 17 1 0
16 17 1 0
15 18 1 0
16 18 1 0
2 19 1 0
M END