fragmenstein/demo/mpro_mols/Mpro-x1235.mol
x1235
RDKit 3D
17 18 0 0 0 0 0 0 0 0999 V2000
22.4550 -22.5870 19.7190 N 0 0 0 0 0 0 0 0 0 0 0 0
24.8830 -19.9870 19.8640 C 0 0 0 0 0 0 0 0 0 0 0 0
23.7840 -20.8160 20.1410 O 0 0 0 0 0 0 0 0 0 0 0 0
23.5530 -21.8820 19.2970 C 0 0 0 0 0 0 0 0 0 0 0 0
21.0880 -25.0510 17.3490 N 0 0 0 0 0 0 0 0 0 0 0 0
24.2310 -22.1270 18.3220 O 0 0 0 0 0 0 0 0 0 0 0 0
22.0060 -23.7180 19.0640 C 0 0 0 0 0 0 0 0 0 0 0 0
21.2640 -25.9050 18.3260 C 0 0 0 0 0 0 0 0 0 0 0 0
20.8760 -27.3260 18.2320 C 0 0 0 0 0 0 0 0 0 0 0 0
21.5070 -23.7720 17.7550 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3150 -22.6730 16.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7660 -21.4600 17.2330 C 0 0 0 0 0 0 0 0 0 0 0 0
20.5020 -20.4410 16.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
20.7890 -20.6310 14.9590 C 0 0 0 0 0 0 0 0 0 0 0 0
21.3490 -21.8430 14.5260 C 0 0 0 0 0 0 0 0 0 0 0 0
21.6160 -22.8660 15.4440 C 0 0 0 0 0 0 0 0 0 0 0 0
21.9570 -25.2620 19.8010 S 0 0 0 0 0 0 0 0 0 0 0 0
2 3 1 0
1 4 1 0
3 4 1 0
4 6 2 0
1 7 1 0
5 8 2 0
8 9 1 0
5 10 1 0
7 10 2 0
10 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
7 17 1 0
8 17 1 0
M END