fragmenstein/demo/mpro_mols/Mpro-x11317.mol
RDKit 3D
19 20 0 0 0 0 0 0 0 0999 V2000
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12.5670 -1.0860 22.2180 C 0 0 0 0 0 0 0 0 0 0 0 0
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11.2320 -1.3870 22.0560 C 0 0 0 0 0 0 0 0 0 0 0 0
10.2810 -0.7480 22.8410 C 0 0 0 0 0 0 0 0 0 0 0 0
8.8100 -0.9830 22.5820 C 0 0 0 0 0 0 0 0 0 0 0 0
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6.5600 0.0120 19.7390 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4800 0.8640 20.0240 C 0 0 0 0 0 0 0 0 0 0 0 0
5.0200 1.0990 21.4430 C 0 0 0 0 0 0 0 0 0 0 0 0
7.0000 -0.1440 18.4320 C 0 0 0 0 0 0 0 0 0 0 0 0
6.4300 0.4810 17.4030 N 0 0 0 0 0 0 0 0 0 0 0 0
5.3950 1.2880 17.6660 C 0 0 0 0 0 0 0 0 0 0 0 0
4.8850 1.5050 18.9650 C 0 0 0 0 0 0 0 0 0 0 0 0
3.8060 2.3670 19.1070 N 0 0 0 0 0 0 0 0 0 0 0 0
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12 11 1 0
13 12 2 0
14 13 1 0
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16 15 2 0
17 16 1 0
18 17 2 0
18 13 1 0
19 18 1 0
M END