fragmenstein/demo/mpro_mols/Mpro-x2581.mol
x2581
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
9.5600 1.6620 21.0020 N 0 0 0 0 0 0 0 0 0 0 0 0
9.7980 -2.5280 23.8380 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2530 -1.1760 23.9380 O 0 0 0 0 0 0 0 0 0 0 0 0
10.0110 -0.3260 22.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7690 3.2190 22.1710 N 0 0 0 0 0 0 0 0 0 0 0 0
11.3430 3.4670 24.3530 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3250 -0.6220 21.7210 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1180 0.4090 20.8220 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2500 1.9190 22.1260 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3420 3.8750 23.2030 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0050 5.1840 22.8290 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2240 6.3810 23.3200 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1320 6.8430 22.5930 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4360 7.9490 22.9810 C 0 0 0 0 0 0 0 0 0 0 0 0
9.8030 8.6640 24.1440 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1240 9.8300 24.5740 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5180 10.4850 25.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
10.5870 10.0220 26.4580 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2680 8.8990 26.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9010 8.1940 24.9070 C 0 0 0 0 0 0 0 0 0 0 0 0
11.5930 7.0430 24.4650 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4900 0.9560 23.1140 C 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
3 4 1 0
4 7 2 0
1 8 2 0
7 8 1 0
1 9 1 0
5 9 1 0
5 10 1 0
6 10 2 0
10 11 1 0
11 12 1 0
12 13 2 0
13 14 1 0
14 15 2 0
15 16 1 0
16 17 2 0
17 18 1 0
18 19 2 0
15 20 1 0
19 20 1 0
12 21 1 0
20 21 2 0
4 22 1 0
9 22 2 0
M END