fragmenstein/demo/mpro_mols/Mpro-x2646.mol
x2646
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
6.5100 0.6470 17.5540 N 0 0 0 0 0 0 0 0 0 0 0 0
4.7500 0.9620 21.4820 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9770 0.8310 21.0660 O 0 0 0 0 0 0 0 0 0 0 0 0
13.7360 -1.7550 21.2420 Cl 0 0 0 0 0 0 0 0 0 0 0 0
5.3810 0.8500 20.1190 C 0 0 0 0 0 0 0 0 0 0 0 0
7.1880 -0.5570 20.9610 N 0 0 0 0 0 0 0 0 0 0 0 0
4.8420 1.5300 19.0310 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4290 1.4000 17.7890 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0360 -0.0150 18.5900 C 0 0 0 0 0 0 0 0 0 0 0 0
6.5220 0.0620 19.8840 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3480 -0.1310 21.4950 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8100 -0.9180 22.7070 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2820 -0.7040 22.9600 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7150 0.1530 23.9630 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0560 0.4800 24.0880 C 0 0 0 0 0 0 0 0 0 0 0 0
12.9930 -0.0690 23.2220 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5640 -0.9660 22.2630 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2250 -1.2810 22.1110 C 0 0 0 0 0 0 0 0 0 0 0 0
2 5 1 0
5 7 2 0
1 8 2 0
7 8 1 0
1 9 1 0
5 10 1 0
6 10 1 0
9 10 2 0
3 11 2 0
6 11 1 0
11 12 1 0
12 13 1 0
13 14 2 0
14 15 1 0
15 16 2 0
4 17 1 0
16 17 1 0
13 18 1 0
17 18 2 0
M END