fragmenstein/demo/mpro_mols/Mpro-x0104.mol
x0104
RDKit 3D
16 17 0 0 0 0 0 0 0 0999 V2000
9.0040 6.1980 22.6350 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2850 5.8990 23.4050 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3240 6.0920 24.5690 O 0 0 0 0 0 0 0 0 0 0 0 0
11.4370 5.3670 22.6980 N 0 0 0 0 0 0 0 0 0 0 0 0
12.6780 5.0360 23.3720 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0570 3.6080 22.9760 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0700 2.5240 23.4390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9450 2.7020 24.2270 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3550 1.5250 24.3920 N 0 0 0 0 0 0 0 0 0 0 0 0
11.0490 0.5500 23.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8220 -0.8470 23.6180 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7050 -1.6260 22.8750 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8090 -1.0330 22.2540 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0310 0.3370 22.3800 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1330 1.1400 23.1340 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6780 -1.7900 21.5250 F 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
2 3 2 0
2 4 1 0
4 5 1 0
5 6 1 0
6 7 1 0
7 8 2 0
8 9 1 0
9 10 1 0
10 11 1 0
11 12 2 0
12 13 1 0
13 14 2 0
7 15 1 0
10 15 2 0
14 15 1 0
13 16 1 0
M END