fragmenstein/demo/mpro_mols/Mpro-x10237.mol
x10237
RDKit 3D
25 27 0 0 0 0 0 0 0 0999 V2000
9.4010 -0.7270 22.4210 N 0 0 0 0 0 0 0 0 0 0 0 0
13.0580 -0.8220 22.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8290 -5.5880 26.5230 O 0 0 0 0 0 0 0 0 0 0 0 0
14.2560 -1.6780 21.1590 Cl 0 0 0 0 0 0 0 0 0 0 0 0
13.4610 0.1510 22.9800 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7760 -3.4670 24.8640 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3530 0.8670 20.8100 O 0 0 0 0 0 0 0 0 0 0 0 0
12.5000 0.7810 23.7600 C 0 0 0 0 0 0 0 0 0 0 0 0
7.6070 -0.5860 20.9250 N 0 0 0 0 0 0 0 0 0 0 0 0
11.1610 0.4390 23.6430 C 0 0 0 0 0 0 0 0 0 0 0 0
6.7410 0.5940 17.5560 N 0 0 0 0 0 0 0 0 0 0 0 0
10.7760 -0.5270 22.7140 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7330 -1.1670 21.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6000 -1.5240 23.3580 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1750 -2.8990 23.5700 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6360 -4.6110 25.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
9.2050 -5.1880 26.5460 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9810 -4.4760 26.1960 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3530 -3.8710 24.8620 C 0 0 0 0 0 0 0 0 0 0 0 0
8.7990 -0.0890 21.3300 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8660 0.0100 19.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
5.7110 0.7370 20.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0790 1.3880 19.0980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.6240 1.2820 17.8270 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3380 -0.0310 18.5730 C 0 0 0 0 0 0 0 0 0 0 0 0
2 4 1 0
2 5 2 0
5 8 1 0
8 10 2 0
1 12 1 0
10 12 1 0
2 13 1 0
12 13 2 0
1 14 1 0
6 15 1 0
14 15 1 0
6 16 1 0
3 17 1 0
16 17 1 0
3 18 1 0
6 19 1 0
18 19 1 0
1 20 1 0
7 20 2 0
9 20 1 0
9 21 1 0
21 22 1 0
22 23 2 0
11 24 2 0
23 24 1 0
11 25 1 0
21 25 2 0
M END