fragmenstein/demo/mpro_mols/Mpro-x3303.mol
x3303
RDKit 3D
25 28 0 0 0 0 0 0 0 0999 V2000
7.5290 -1.5600 21.4430 N 0 0 0 0 0 0 0 0 0 0 0 0
6.2740 -1.5250 20.9440 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4760 -2.4360 21.1370 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6150 -0.6250 21.0940 C 0 0 0 0 0 0 0 0 0 0 0 0
9.7340 -1.2720 23.1980 N 0 0 0 0 0 0 0 0 0 0 0 0
6.5380 0.9200 16.8030 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3430 -0.1420 22.3480 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0430 1.6320 18.3350 N 0 0 0 0 0 0 0 0 0 0 0 0
8.6370 -2.1820 23.5480 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9490 -2.6860 22.2910 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0630 -1.5790 23.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0810 -1.2750 22.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
13.3950 -1.6070 22.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7130 -2.2290 24.0680 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7170 -2.5300 24.9740 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3950 -2.2090 24.6990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.8440 -0.3730 20.0720 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3820 -0.2600 18.8280 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0090 0.7630 17.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4440 1.5860 19.5840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8200 0.5810 20.4980 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1830 0.5190 21.7360 C 0 0 0 0 0 0 0 0 0 0 0 0
3.1940 1.4350 22.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
2.8400 2.4240 21.1630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.4570 2.5090 19.9270 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
1 4 1 0
4 7 1 0
5 7 1 0
5 9 1 0
1 10 1 0
9 10 1 0
5 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
14 15 1 0
11 16 1 0
15 16 2 0
2 17 1 0
17 18 2 0
6 19 2 0
8 19 1 0
18 19 1 0
8 20 1 0
17 21 1 0
20 21 2 0
21 22 1 0
22 23 2 0
23 24 1 0
20 25 1 0
24 25 2 0
M END