fragmenstein/demo/mpro_mols/Mpro-6lze.mol
RDKit 3D
33 36 0 0 0 0 0 0 0 0999 V2000
9.0870 1.8140 22.4930 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1810 7.0460 25.7240 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1680 7.6080 24.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1360 6.7900 23.3350 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1240 5.3830 23.5010 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1430 4.8300 24.7520 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1710 5.6670 25.8880 C 0 0 0 0 0 0 0 0 0 0 0 0
9.1210 3.4170 24.5720 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0760 3.1930 23.2060 C 0 0 0 0 0 0 0 0 0 0 0 0
9.0970 4.3690 22.5810 N 0 0 0 0 0 0 0 0 0 0 0 0
8.9540 1.7420 21.3310 O 0 0 0 0 0 0 0 0 0 0 0 0
9.3390 0.6000 23.3010 N 0 0 0 0 0 0 0 0 0 0 0 0
9.4100 -0.6490 22.6270 C 0 0 2 0 0 0 0 0 0 0 0 0
8.0590 -1.0890 22.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0560 -0.8910 22.6710 O 0 0 0 0 0 0 0 0 0 0 0 0
9.9220 -1.7470 23.6010 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3190 -1.3780 24.2560 C 0 0 2 0 0 0 0 0 0 0 0 0
12.3750 -1.1980 23.1580 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7490 -0.9120 23.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
14.1630 -2.0110 24.7490 C 0 0 0 0 0 0 0 0 0 0 0 0
13.0960 -2.2660 25.8230 C 0 0 0 0 0 0 0 0 0 0 0 0
11.7180 -2.5110 25.2050 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3670 0.8420 17.1750 O 0 0 0 0 0 0 0 0 0 0 0 0
5.7420 0.8700 18.1650 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4940 1.7310 18.4570 N 0 0 0 0 0 0 0 0 0 0 0 0
4.1450 1.4440 19.6460 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9480 -0.0010 20.0810 C 0 0 0 0 0 0 0 0 0 0 0 0
6.0050 0.0070 19.4980 C 0 0 1 0 0 0 0 0 0 0 0 0
6.4230 -1.5020 19.0130 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8690 -2.3340 20.2290 C 0 0 2 0 0 0 0 0 0 0 0 0
8.1140 -1.8150 20.8270 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9430 -3.8160 19.8740 C 0 0 0 0 0 0 0 0 0 0 0 0
5.9370 -4.3710 19.5930 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 2 0
4 3 1 0
5 4 2 0
6 5 1 0
7 6 2 0
7 2 1 0
8 6 1 0
9 8 2 0
9 1 1 0
10 9 1 0
10 5 1 0
11 1 2 0
12 1 1 0
13 12 1 0
14 13 1 0
15 14 2 0
13 16 1 1
17 16 1 6
18 17 1 0
19 18 1 0
20 19 1 0
21 20 1 0
22 21 1 0
22 17 1 0
24 23 2 0
25 24 1 0
26 25 1 0
27 26 1 0
28 27 1 0
28 24 1 0
28 29 1 6
30 29 1 6
31 30 1 0
31 14 1 0
32 30 1 0
33 32 2 0
M END