fragmenstein/demo/mpro_mols/Mpro-x10565.mol
RDKit 3D
18 19 0 0 0 0 0 0 0 0999 V2000
9.8110 0.3790 24.2470 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4140 0.4510 17.3770 N 0 0 0 0 0 0 0 0 0 0 0 0
12.0580 -0.6150 23.0160 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2850 0.7920 19.9260 C 0 0 0 0 0 0 0 0 0 0 0 0
12.1950 0.4090 23.9360 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7070 1.0390 21.2960 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6750 -0.6130 23.2840 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7800 1.4530 18.8120 C 0 0 0 0 0 0 0 0 0 0 0 0
8.0590 -0.3260 21.4520 C 0 0 0 0 0 0 0 0 0 0 0 0
6.9430 -0.7340 20.8260 N 0 0 0 0 0 0 0 0 0 0 0 0
8.7890 0.5730 21.0320 O 0 0 0 0 0 0 0 0 0 0 0 0
6.3740 -0.0690 19.7230 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3190 -1.0230 22.7720 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8960 -0.2070 18.4360 C 0 0 0 0 0 0 0 0 0 0 0 0
11.0590 0.8940 24.5660 C 0 0 0 0 0 0 0 0 0 0 0 0
10.8200 -1.1210 22.6850 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3710 1.2640 17.5800 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7560 -1.5080 22.1910 I 0 0 0 0 0 0 0 0 0 0 0 0
5 3 1 0
6 4 1 0
7 1 2 0
8 4 1 0
10 9 1 0
11 9 2 0
12 4 2 0
12 10 1 0
13 9 1 0
13 7 1 0
14 12 1 0
14 2 2 0
15 1 1 0
15 5 2 0
16 7 1 0
16 3 2 0
17 8 2 0
17 2 1 0
18 3 1 0
M END