fragmenstein/demo/mpro_mols/Mpro-x10898.mol
RDKit 3D
22 25 0 0 0 0 0 0 0 0999 V2000
5.5300 0.5620 19.2650 N 0 0 0 0 0 0 0 0 0 0 0 0
7.1740 -0.1150 20.8190 N 0 0 0 0 0 0 0 0 0 0 0 0
6.6980 0.4960 17.4070 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7870 2.0770 21.1570 C 0 0 0 0 0 0 0 0 0 0 0 0
12.8050 0.0100 23.4400 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1420 0.9090 20.9720 O 0 0 0 0 0 0 0 0 0 0 0 0
6.8210 0.3310 19.5790 C 0 0 0 0 0 0 0 0 0 0 0 0
11.8390 0.6070 24.2300 C 0 0 0 0 0 0 0 0 0 0 0 0
8.6280 -0.7320 22.6700 C 0 0 2 0 0 0 0 0 0 0 0 0
7.7360 -0.2020 23.8140 C 0 0 0 0 0 0 0 0 0 0 0 0
8.2560 1.1280 24.2920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4930 0.9380 20.2440 C 0 0 1 0 0 0 0 0 0 0 0 0
10.1000 -0.5330 22.9770 C 0 0 0 0 0 0 0 0 0 0 0 0
5.5070 0.6580 17.9060 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7730 2.2300 20.0690 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0880 -1.1490 22.2120 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4170 -0.8620 22.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
7.5530 0.2880 18.4760 N 0 0 0 0 0 0 0 0 0 0 0 0
9.6060 1.0230 24.7890 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4030 0.0070 21.3490 C 0 0 0 0 0 0 0 0 0 0 0 0
10.4970 0.3460 23.9890 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6320 -1.6250 21.4600 Cl 0 0 0 0 0 0 0 0 0 0 0 0
7 2 1 0
7 1 1 0
8 5 2 0
10 9 1 0
11 10 1 0
12 4 1 0
12 1 1 6
13 9 1 0
14 3 2 0
14 1 1 0
15 12 1 0
15 4 1 0
16 13 1 0
17 16 2 0
17 5 1 0
18 7 2 0
18 3 1 0
19 11 1 0
20 6 2 0
20 2 1 0
9 20 1 6
21 19 1 0
21 13 2 0
21 8 1 0
22 17 1 0
M END