fragmenstein/demo/mpro_mols/Mpro-x11271.mol
RDKit 3D
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5.1550 0.7530 19.8920 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6340 0.8360 21.3050 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.1770 1.5340 17.6290 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2360 0.7810 17.3000 N 0 0 0 0 0 0 0 0 0 0 0 0
6.7530 -0.0070 18.2480 C 0 0 0 0 0 0 0 0 0 0 0 0
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18 17 2 0
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20 19 2 0
20 14 1 0
M END