matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x0177.mol

Summary

Maintainability
Test Coverage
x0177
     RDKit          3D

 18 19  0  0  0  0  0  0  0  0999 V2000
   23.7130  -16.5560   26.0140 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.5090  -17.6840   25.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5950  -17.8220   25.9880 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0000  -18.7300   24.5400 C   0  0  2  0  0  0  0  0  0  0  0  0
   24.7500  -18.7670   23.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3580  -19.9930   22.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.9560  -20.5540   22.6130 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.1330  -19.9510   23.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.5790  -18.5840   24.2010 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3550  -21.6340   21.8310 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.2490  -21.9900   22.0830 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0720  -22.2700   20.7440 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.4740  -23.3300   19.9650 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.3820  -23.1610   18.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8250  -24.1610   17.8110 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3630  -25.3310   18.4040 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4570  -25.5000   19.7800 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0130  -24.4990   20.5620 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  4  2  1  1
  4  5  1  0
  5  6  1  0
  6  7  1  0
  7  8  1  0
  4  9  1  0
  8  9  1  0
  7 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
 15 16  2  0
 16 17  1  0
 13 18  1  0
 17 18  2  0
M  END