fragmenstein/demo/mpro_mols/Mpro-6xqs.mol
RDKit 3D
49 53 0 0 0 0 0 0 0 0999 V2000
12.6520 8.1870 26.0530 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.2460 0.3500 20.4880 C 0 0 0 0 0 0 0 0 0 0 0 0
6.2500 -4.8120 20.6630 C 0 0 0 0 0 0 0 0 0 0 0 0
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8.5330 -4.7900 21.3440 O 0 0 0 0 0 0 0 0 0 0 0 0
5.4210 -4.7390 19.7930 O 0 0 0 0 0 0 0 0 0 0 0 0
3 2 2 0
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10 9 1 1
11 10 1 0
12 11 2 0
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42 41 1 0
43 42 1 0
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40 48 1 1
49 44 2 0
M END