fragmenstein/demo/mpro_mols/Mpro-x11488.mol
RDKit 3D
22 23 0 0 0 0 0 0 0 0999 V2000
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8.8340 1.0780 21.0990 O 0 0 0 0 0 0 0 0 0 0 0 0
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6.5280 0.0810 19.8980 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3750 0.8460 20.1480 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8220 1.0250 21.5400 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7790 1.4780 19.0620 C 0 0 0 0 0 0 0 0 0 0 0 0
5.3240 1.3330 17.8010 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4190 0.6020 17.5490 N 0 0 0 0 0 0 0 0 0 0 0 0
7.0010 -0.0080 18.5870 C 0 0 0 0 0 0 0 0 0 0 0 0
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22 16 1 0
M END