matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0759.mol

Summary

Maintainability
Test Coverage
x0759
     RDKit          3D

 17 18  0  0  0  0  0  0  0  0999 V2000
    5.7870   -4.3060   19.6900 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5700   -3.3980   19.9390 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2140   -2.6360   18.8130 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8940   -3.0500   21.2040 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3400   -3.7530   22.3700 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4510   -4.3580   23.1970 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6400   -3.5550   23.1670 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.3600   -2.1770   22.9660 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.6400   -1.4140   23.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7700   -0.6520   24.3550 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9210    0.0640   24.6090 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9310   -0.0000   23.7000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8580   -0.7370   22.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6990   -1.4520   22.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7680   -1.9420   21.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0630    0.7050   23.9570 F   0  0  0  0  0  0  0  0  0  0  0  0
    8.7890   -3.4150   18.3670 R   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  2  4  1  0
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  8  9  1  6
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
  9 14  1  0
 13 14  2  0
  4 15  1  0
  8 15  1  0
 12 16  1  0
  3 17  1  0
M  END