fragmenstein/demo/mpro_mols/Mpro-x10575.mol
RDKit 3D
17 19 0 0 0 0 0 0 0 0999 V2000
6.6040 0.3150 17.7860 N 0 0 0 0 0 0 0 0 0 0 0 0
5.7910 0.7080 20.4470 C 0 0 0 0 0 0 0 0 0 0 0 0
13.7810 -1.6960 23.7080 C 0 0 0 0 0 0 0 0 0 0 0 0
11.2080 -0.0310 22.6410 C 0 0 1 0 0 0 0 0 0 0 0 0
5.0070 1.1290 19.3780 C 0 0 0 0 0 0 0 0 0 0 0 0
8.9500 0.2690 21.5780 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0020 0.0520 20.1430 C 0 0 0 0 0 0 0 0 0 0 0 0
7.3590 -0.1120 18.8030 C 0 0 0 0 0 0 0 0 0 0 0 0
11.9130 0.0820 23.9950 C 0 0 0 0 0 0 0 0 0 0 0 0
12.5260 -2.0250 22.9650 C 0 0 2 0 0 0 0 0 0 0 0 0
12.0580 -1.0510 21.8810 C 0 0 0 0 0 0 0 0 0 0 0 0
12.4410 -1.3280 24.2570 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3710 0.9930 21.8680 C 0 0 0 0 0 0 0 0 0 0 0 0
7.8430 -0.3920 21.1890 N 0 0 0 0 0 0 0 0 0 0 0 0
9.3250 1.3170 21.0670 O 0 0 0 0 0 0 0 0 0 0 0 0
9.7210 -0.3830 22.7110 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4450 0.9140 18.0850 C 0 0 0 0 0 0 0 0 0 0 0 0
5 2 1 0
7 2 2 0
8 7 1 0
8 1 2 0
9 4 1 0
10 3 1 6
11 10 1 0
11 4 1 0
12 10 1 0
12 9 1 6
12 3 1 0
13 2 1 0
14 7 1 0
14 6 1 0
15 6 2 0
16 6 1 0
4 16 1 1
17 5 2 0
17 1 1 0
M END