fragmenstein/demo/mpro_mols/Mpro-x0774.mol
x0774
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
6.9780 -3.4280 21.1290 N 0 0 0 0 0 0 0 0 0 0 0 0
6.8870 -2.8610 18.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6360 -4.5940 19.7300 O 0 0 0 0 0 0 0 0 0 0 0 0
6.4450 -3.6970 19.9160 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0600 -2.4010 23.7130 N 0 0 0 0 0 0 0 0 0 0 0 0
8.0930 -0.7990 25.2930 O 0 0 0 0 0 0 0 0 0 0 0 0
7.8870 -2.3240 21.4670 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4880 -2.6440 23.9870 N 0 0 0 0 0 0 0 0 0 0 0 0
5.8050 -1.6450 25.7110 O 0 0 0 0 0 0 0 0 0 0 0 0
7.3270 -1.4900 22.5920 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0530 -3.4160 23.3730 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6460 -4.2680 22.2830 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8170 -3.2350 26.1600 C 0 0 1 0 0 0 0 0 0 0 0 0
7.0770 -3.8290 27.1790 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5920 -4.9090 27.8720 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8280 -5.4220 27.5510 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5730 -4.8670 26.5290 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0680 -3.7810 25.8210 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8590 -3.2030 24.7660 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1440 -1.8650 25.2610 S 0 0 1 0 0 0 0 0 0 0 0 0
8.5820 -3.3640 18.3870 R 0 0 0 0 0 0 0 0 0 0 0 0
1 4 1 0
2 4 1 0
3 4 1 0
1 7 1 0
5 10 1 0
7 10 1 0
5 11 1 0
1 12 1 0
11 12 1 0
13 14 1 1
14 15 1 0
15 16 1 0
16 17 1 0
13 18 1 0
17 18 1 0
8 19 1 0
18 19 1 0
5 20 1 0
20 6 1 6
9 20 1 0
13 20 1 0
2 21 1 0
M END