fragmenstein/demo/mpro_mols/Mpro-6xhm.mol
RDKit 3D
34 36 0 0 0 0 0 0 0 0999 V2000
10.3890 5.6960 28.4020 C 0 0 0 0 0 0 0 0 0 0 0 0
10.3190 4.9330 27.1910 O 0 0 0 0 0 0 0 0 0 0 0 0
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9.6230 3.1320 23.3520 C 0 0 0 0 0 0 0 0 0 0 0 0
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9.7500 4.7480 24.9320 C 0 0 0 0 0 0 0 0 0 0 0 0
9.6200 1.9070 22.5390 C 0 0 0 0 0 0 0 0 0 0 0 0
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10.0200 -0.5010 22.4740 C 0 0 1 0 0 0 0 0 0 0 0 0
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12.3010 -1.4270 23.2450 C 0 0 2 0 0 0 0 0 0 0 0 0
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12.9720 -2.2260 24.3600 C 0 0 0 0 0 0 0 0 0 0 0 0
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5.9730 -0.0960 19.6660 C 0 0 2 0 0 0 0 0 0 0 0 0
4.8160 -0.1290 20.6920 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8710 0.9590 20.2420 C 0 0 0 0 0 0 0 0 0 0 0 0
4.1620 1.0800 18.8210 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3650 0.6210 18.4720 C 0 0 0 0 0 0 0 0 0 0 0 0
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7.9280 -4.2880 21.6510 C 0 0 0 0 0 0 0 0 0 0 0 0
8.1790 -5.6840 21.5430 O 0 0 0 0 0 0 0 0 0 0 0 0
2 1 1 0
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17 18 1 6
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25 24 1 6
26 25 1 0
27 26 1 0
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29 28 1 0
29 25 1 0
30 29 2 0
31 23 1 0
32 31 2 0
33 31 1 0
34 33 1 0
M END