fragmenstein/demo/mpro_mols/Mpro-6wnp.mol
RDKit 3D
37 39 0 0 0 0 0 0 0 0999 V2000
11.3570 4.3130 23.4860 C 0 0 0 0 0 0 0 0 0 0 0 0
12.0290 5.3760 22.7310 N 0 0 0 0 0 0 0 0 0 0 0 0
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7.9680 2.9420 23.7960 C 0 0 2 0 0 0 0 0 0 0 0 0
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7.2790 3.3810 22.4830 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.1670 -0.4710 21.0850 C 0 0 2 0 0 0 0 0 0 0 0 0
5.2990 -0.6980 22.3450 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0420 0.4190 20.5190 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.4550 -4.0650 20.4290 C 0 0 1 0 0 0 0 0 0 0 0 0
5.3130 -4.6280 19.5280 O 0 0 0 0 0 0 0 0 0 0 0 0
6.0800 -4.7590 20.4380 C 0 0 0 0 0 0 0 0 0 0 0 0
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2 1 1 0
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4 5 1 1
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10 11 1 1
12 10 1 0
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23 21 1 0
18 24 1 1
25 24 2 0
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29 28 1 6
30 29 1 0
31 29 1 0
32 31 1 0
32 30 1 0
34 33 1 1
34 27 1 0
36 35 2 0
36 34 1 0
37 36 1 0
M END