fragmenstein/demo/mpro_mols/Mpro-x10494.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
6.3940 0.5650 17.5250 N 0 0 0 0 0 0 0 0 0 0 0 0
7.2910 -0.4540 20.9640 N 0 0 0 0 0 0 0 0 0 0 0 0
5.4910 0.9700 20.1390 C 0 0 0 0 0 0 0 0 0 0 0 0
13.1920 -0.1460 23.0900 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4360 -0.5660 22.8790 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8470 1.5500 19.0540 C 0 0 0 0 0 0 0 0 0 0 0 0
8.4430 0.0270 21.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
6.6020 0.1550 19.8860 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0400 -0.0360 18.5540 C 0 0 0 0 0 0 0 0 0 0 0 0
12.3230 0.4490 23.9900 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3130 -1.1830 21.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
10.9570 0.2310 23.8910 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6710 -0.9810 22.1240 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9970 1.2220 21.5420 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1000 -0.7970 18.2670 N 0 0 0 0 0 0 0 0 0 0 0 0
9.0310 1.0020 21.0130 O 0 0 0 0 0 0 0 0 0 0 0 0
8.9450 -0.7180 22.6940 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3220 1.3230 17.7840 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7530 -1.8930 21.1110 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6 3 1 0
7 2 1 0
8 3 2 0
8 2 1 0
9 8 1 0
9 1 2 0
10 4 2 0
11 5 1 0
12 5 2 0
12 10 1 0
13 11 2 0
13 4 1 0
14 3 1 0
15 9 1 0
16 7 2 0
17 7 1 0
17 5 1 0
18 6 2 0
18 1 1 0
19 13 1 0
M END