matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0165.mol

Summary

Maintainability
Test Coverage
x0165
     RDKit          3D

 16 17  0  0  0  0  0  0  0  0999 V2000
   23.0270  -17.4800   24.2960 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.1360  -18.7140   24.0050 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.9350  -19.4280   24.1500 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0510  -20.9210   23.8070 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.7180  -21.1770   22.5770 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.9430  -20.4410   22.5120 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.7530  -18.9540   22.7720 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1880  -22.0840   21.5610 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.1550  -22.6310   21.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.8750  -22.3130   20.3080 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.3420  -23.2060   19.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.9850  -24.5080   19.6050 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4940  -25.3460   18.6120 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3640  -24.8870   17.3090 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.7280  -23.5810   16.9950 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.2200  -22.7440   17.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  1  0
  4  5  1  0
  5  6  1  0
  2  7  1  0
  6  7  1  0
  5  8  1  0
  8  9  2  0
  8 10  1  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 11 16  1  0
 15 16  2  0
M  END