fragmenstein/demo/mpro_mols/Mpro-x11431.mol
RDKit 3D
21 23 0 0 0 0 0 0 0 0999 V2000
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8.3880 -0.3130 21.3470 C 0 0 0 0 0 0 0 0 0 0 0 0
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13.0030 -0.0780 23.2170 C 0 0 0 0 0 0 0 0 0 0 0 0
11.3320 -1.3820 22.0700 C 0 0 0 0 0 0 0 0 0 0 0 0
12.6440 -0.9970 22.2530 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.4850 0.6400 20.0830 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0150 0.7110 21.5200 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0640 1.8690 21.8070 C 0 0 0 0 0 0 0 0 0 0 0 0
3.0580 2.0630 20.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7690 2.3750 19.3920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8490 1.3700 19.0710 C 0 0 0 0 0 0 0 0 0 0 0 0
5.2960 1.2020 17.7780 C 0 0 0 0 0 0 0 0 0 0 0 0
6.3100 0.4060 17.4240 N 0 0 0 0 0 0 0 0 0 0 0 0
6.9300 -0.2760 18.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
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21 20 1 0
21 12 2 0
M END