matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0354.mol

Summary

Maintainability
Test Coverage
x0354
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   13.1960   -1.0660   22.5730 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4010   -1.3300   23.7710 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.9330   -2.3330   25.6060 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.6920   -0.1310   24.2070 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0420   -1.5170   25.3840 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.4260   -0.4950   27.6180 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9860   -0.4030   25.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6470   -2.7170   24.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4190   -2.3920   23.5410 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7620   -1.4460   25.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3490   -0.1990   26.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9960    0.5550   28.3890 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7410    1.7190   28.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2640    2.7440   29.3360 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0540    2.6440   29.9940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5470    3.7590   30.8610 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3250    1.4810   29.8360 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7810    0.4360   29.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  4  1  0
  4  7  1  0
  5  7  1  0
  5  8  1  0
  2  9  1  0
  8  9  1  0
  3 10  2  0
  5 10  1  0
  6 11  1  0
 10 11  1  0
  6 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
 15 16  1  0
 15 17  1  0
 12 18  1  0
 17 18  2  0
M  END