matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x10733.mol

Summary

Maintainability
Test Coverage

     RDKit          3D

 21 23  0  0  0  0  0  0  0  0999 V2000
    6.4170    0.6060   17.4340 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8070   -0.6960   23.2950 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4190    0.7660   20.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0970    0.5280   23.8880 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5470    0.0510   24.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    1.4640   19.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3500   -0.4070   21.3520 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5350   -0.0350   19.7480 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9900   -0.0770   18.4290 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7410    0.2170   24.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2480   -0.8480   21.9600 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0160   -1.4310   21.0020 F   0  0  0  0  0  0  0  0  0  0  0  0
   10.6840    0.6180   24.8810 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8540    0.0100   22.8510 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9140   -1.1840   22.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9060    0.9160   21.4650 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1830   -0.7580   20.7750 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.9920    0.5990   21.0510 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8010   -1.3430   22.4590 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3520    1.3600   17.7350 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1630   -0.6220   23.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
  5  2  1  0
  6  3  1  0
  8  3  2  0
  9  8  1  0
  9  1  2  0
 10  4  2  0
 12 11  1  0
 13  5  2  0
 13 10  1  0
 14 11  2  0
 14  4  1  0
 15 11  1  0
 16  3  1  0
 17  8  1  0
 17  7  1  0
 18  7  2  0
 19  7  1  0
 19  2  1  0
 20  6  2  0
 20  1  1  0
 21  2  1  0
 21 15  2  0
 21 10  1  0
M  END