fragmenstein/demo/mpro_mols/Mpro-x10638.mol
RDKit 3D
23 25 0 0 0 0 0 0 0 0999 V2000
6.3370 0.6770 17.3380 N 0 0 0 0 0 0 0 0 0 0 0 0
9.2990 -0.3590 23.3840 N 0 0 0 0 0 0 0 0 0 0 0 0
5.2030 0.9180 19.8930 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7810 0.3910 24.2570 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4210 0.7200 24.1680 O 0 0 0 0 0 0 0 0 0 0 0 0
8.6380 0.5630 24.1710 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6890 1.6100 18.8040 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.2920 0.0660 19.6590 C 0 0 0 0 0 0 0 0 0 0 0 0
6.8190 -0.0220 18.3710 C 0 0 0 0 0 0 0 0 0 0 0 0
11.4060 0.2900 24.3110 C 0 0 0 0 0 0 0 0 0 0 0 0
12.7750 -1.0380 22.3550 C 0 0 0 0 0 0 0 0 0 0 0 0
9.4780 1.4310 25.0760 C 0 0 0 0 0 0 0 0 0 0 0 0
13.4660 -0.2570 23.2510 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3990 -1.1500 22.3890 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6570 1.1560 21.2790 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.7070 0.7280 20.9810 O 0 0 0 0 0 0 0 0 0 0 0 0
10.7750 0.8960 25.3670 O 0 0 0 0 0 0 0 0 0 0 0 0
8.4990 -1.1470 22.4540 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2850 1.4760 17.5680 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7020 -0.4400 23.3610 C 0 0 0 0 0 0 0 0 0 0 0 0
13.6710 -1.9440 21.1670 Cl 0 0 0 0 0 0 0 0 0 0 0 0
6 5 2 0
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22 11 1 0
23 12 1 0
M END