fragmenstein/demo/mpro_mols/Mpro-x10421.mol
x10421
RDKit 3D
20 21 0 0 0 0 0 0 0 0999 V2000
9.0420 -5.2150 25.0330 N 0 0 0 0 0 0 0 0 0 0 0 0
9.9630 -5.6340 26.0890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.9530 -2.6580 20.8660 O 0 0 0 0 0 0 0 0 0 0 0 0
9.1470 -3.7760 24.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6240 -0.5020 21.4550 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7860 -3.4530 23.3530 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0690 0.1990 17.8360 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7630 -1.9520 23.0260 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1210 -1.7360 21.6560 C 0 0 0 0 0 0 0 0 0 0 0 0
7.2210 0.0980 20.2380 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1490 0.9760 20.3420 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5370 1.4410 19.1950 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0290 1.0310 17.9720 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6410 -0.2610 18.9550 C 0 0 0 0 0 0 0 0 0 0 0 0
10.1570 -1.3370 23.0590 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4870 -0.3900 24.0220 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7210 0.2440 23.9980 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6400 -0.0600 23.0120 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3350 -1.0200 22.0660 C 0 0 0 0 0 0 0 0 0 0 0 0
11.1030 -1.6560 22.0920 C 0 0 0 0 0 0 0 0 0 0 0 0
1 2 1 0
1 4 1 0
4 6 1 0
8 6 1 1
3 9 2 0
5 9 1 0
8 9 1 0
5 10 1 0
10 11 1 0
11 12 2 0
7 13 2 0
12 13 1 0
7 14 1 0
10 14 2 0
8 15 1 0
15 16 2 0
16 17 1 0
17 18 2 0
18 19 1 0
15 20 1 0
19 20 2 0
M END