matteoferla/Fragmenstein

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fragmenstein/demo/mpro_mols/Mpro-x2562.mol

Summary

Maintainability
Test Coverage
x2562
     RDKit          3D

 22 24  0  0  0  0  0  0  0  0999 V2000
    4.7450    1.4590   19.1650 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5640    0.1960   21.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5130    1.4190   20.9740 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3460   -0.6740   20.8370 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2450    0.6430   17.4970 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3470    2.9760   23.5020 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.4340   -0.1390   19.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6830   -0.4910   21.3870 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.7060    7.0040   22.5090 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3710    0.6940   20.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5830    4.9720   22.1490 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.2190    1.3820   17.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8370   -0.1060   18.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8690   -0.0150   21.9930 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9080   -0.9230   22.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0980   -0.5090   22.7430 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2530    0.7970   23.1790 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2040    1.6900   23.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2650    3.7720   22.7090 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.0020    4.7440   23.6430 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4480    5.8250   22.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0140    1.2990   22.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  3  2  0
  2  4  1  0
  4  7  1  0
  2  8  1  0
  1 10  2  0
  7 10  1  0
  1 12  1  0
  5 12  2  0
  5 13  1  0
  7 13  2  0
  8 14  1  0
 14 15  2  0
 15 16  1  0
 16 17  2  0
  6 18  1  0
 17 18  1  0
 19  6  1  1
 11 19  1  0
 19 20  1  0
  9 21  2  0
 11 21  1  0
 20 21  1  0
 14 22  1  0
 18 22  2  0
M  END