fragmenstein/demo/mpro_mols/Mpro-x0755.mol
x0755
RDKit 3D
21 22 0 0 0 0 0 0 0 0999 V2000
5.6830 -5.2300 24.3980 N 0 0 0 0 0 0 0 0 0 0 0 0
2.4950 -4.1370 25.7740 C 0 0 0 0 0 0 0 0 0 0 0 0
4.3970 -6.3160 26.1850 O 0 0 0 0 0 0 0 0 0 0 0 0
1.5190 -3.1720 25.7530 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5390 -5.1210 21.7270 N 0 0 0 0 0 0 0 0 0 0 0 0
6.1430 -4.6600 26.7540 O 0 0 0 0 0 0 0 0 0 0 0 0
1.9020 -1.8490 25.8390 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7960 -4.8820 19.6120 O 0 0 0 0 0 0 0 0 0 0 0 0
3.2310 -1.4840 25.9480 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1870 -2.4720 25.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8390 -3.8110 25.8770 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7130 -5.3470 23.2990 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4150 -5.9680 22.1230 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5060 -4.9800 22.8190 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8330 -4.3870 24.0300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5840 -4.5640 20.4940 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6000 -3.4800 20.2340 C 0 0 0 0 0 0 0 0 0 0 0 0
2.1210 -5.4340 25.6900 F 0 0 0 0 0 0 0 0 0 0 0 0
5.4880 -2.1120 26.0630 F 0 0 0 0 0 0 0 0 0 0 0 0
5.0690 -5.0840 25.9100 S 0 0 1 0 0 0 0 0 0 0 0 0
8.3260 -3.4260 18.5670 R 0 0 0 0 0 0 0 0 0 0 0 0
2 4 2 0
4 7 1 0
7 9 2 0
9 10 1 0
2 11 1 0
10 11 2 0
1 12 1 0
5 13 1 0
12 13 1 0
5 14 1 0
1 15 1 0
14 15 1 0
5 16 1 0
8 16 2 0
16 17 1 0
2 18 1 0
10 19 1 0
1 20 1 0
3 20 2 0
6 20 2 0
20 11 1 6
17 21 1 0
M END