matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-7ju7.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 36 40  0  0  0  0  0  0  0  0999 V2000
    7.1800   -8.3230   33.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1840   -9.4490   32.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7930  -10.6350   32.3480 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8270  -11.1910   33.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3480  -10.2870   31.0450 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3640   -9.1780   31.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7950   -7.9770   31.8110 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.8770   -7.2520   30.9180 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5770   -6.2700   29.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1390   -6.6930   28.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890   -5.8060   27.9570 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6900   -4.9240   30.3320 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3390   -4.0330   29.4890 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9020   -4.4670   28.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6020   -3.5190   27.3720 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6210   -2.3120   27.6010 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2010   -4.0660   26.2870 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8810   -3.3520   25.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1720   -2.8510   24.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2460   -3.1070   25.3870 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8980   -2.3840   24.4030 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2050   -1.8780   23.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9380   -1.1080   22.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8330   -2.1290   23.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1340   -1.6210   22.0760 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8490   -1.1800   22.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2510   -0.9360   20.8760 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8890   -0.8510   23.4190 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6500   -0.2230   22.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0120   -0.3240   21.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2630    0.1670   19.9190 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0410    0.8270   20.0290 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3990    1.2950   18.8960 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0020    1.0850   17.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1740    0.4560   17.5310 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    0.0160   18.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0
  3  2  1  0
  4  3  1  0
  5  3  1  0
  6  5  1  0
  7  6  1  0
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  8  7  1  0
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 10  9  2  0
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 13 12  2  0
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 31 30  1  0
 32 31  2  0
 33 32  1  0
 34 33  2  0
 35 34  1  0
 36 35  2  0
 36 31  1  0
M  END