fragmenstein/demo/mpro_mols/Mpro-x11458.mol
RDKit 3D
22 24 0 0 0 0 0 0 0 0999 V2000
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4.9670 0.6700 21.3700 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8910 1.4540 21.6780 C 0 0 0 0 0 0 0 0 0 0 0 0
3.2240 2.1600 20.6890 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6260 2.0840 19.3880 C 0 0 0 0 0 0 0 0 0 0 0 0
4.7360 1.2820 19.0250 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.1360 -1.4010 22.0910 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.5880 0.0960 24.3900 C 0 0 0 0 0 0 0 0 0 0 0 0
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21 20 1 0
22 15 1 0
22 21 2 0
M END