COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.216   2.379   1.686  1.00  0.00           N  
HETATM    2  C   UNL     1      -3.199   0.968   0.547  1.00  0.00           C  
HETATM    3  OXT UNL     1      -4.161   3.284  -1.008  1.00  0.00           O  
HETATM    4  C   UNL     1       0.871   1.454  -0.532  1.00  0.00           C  
HETATM    5  C   UNL     1       1.863   2.217   0.366  1.00  0.00           C  
HETATM    6  C   UNL     1       3.137   1.425   0.512  1.00  0.00           C  
HETATM    7  N   UNL     1       4.072   1.467  -0.458  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.490  -1.298  -0.353  1.00  0.00           C  
HETATM    9  O   UNL     1       3.321   0.750   1.503  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.151  -0.557   0.811  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.660  -0.885   0.897  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.945  -2.247   0.262  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.705  -2.170  -1.224  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.401  -2.637   0.523  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.686  -4.000  -0.111  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.378   1.226   0.349  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.246   2.329   1.430  1.00  0.00           C  
HETATM   18  CA  UNL     1      -4.567   1.185  -0.060  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.973   2.408  -0.793  1.00  0.00           C  
HETATM   20  N   UNL     1      -5.325   0.182   0.140  1.00  0.00           N  
HETATM   21  O   UNL     1      -6.242   2.547  -1.220  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.877  -2.882  -1.739  1.00  0.00           O  
HETATM   23  O   UNL     1      -6.629  -2.711   1.932  1.00  0.00           O  
HETATM   24  S   UNL     1      -1.896   1.454  -0.618  1.00  0.00           S  
HETATM   25  H   UNL     1       1.479   3.256   2.112  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.102   1.521   1.481  1.00  0.00           H  
HETATM   27  H   UNL     1       0.614   2.053  -1.406  1.00  0.00           H  
HETATM   28  H   UNL     1       1.298   0.499  -0.840  1.00  0.00           H  
HETATM   29  H   UNL     1       2.078   3.195  -0.065  1.00  0.00           H  
HETATM   30  H   UNL     1       3.955   2.059  -1.218  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.439  -1.016  -0.414  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.569  -2.373  -0.191  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.992  -1.034  -1.284  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.645  -0.778   1.751  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.991  -0.875   1.935  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.285  -2.997   0.698  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.272  -1.477  -1.827  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.062  -1.888   0.087  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.026  -4.749   0.325  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.724  -4.277   0.075  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.512  -3.943  -1.186  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.356   0.234   0.801  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.785   2.047   2.334  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.603   3.285   1.049  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.459   3.362  -1.694  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.074  -3.359   2.387  1.00  0.00           H  
HETATM   47  C   UNL     1       5.205   0.661  -0.369  1.00  0.00           C  
HETATM   48  C   UNL     1       5.774   0.397   0.873  1.00  0.00           C  
HETATM   49  C   UNL     1       6.893  -0.398   0.965  1.00  0.00           C  
HETATM   50  C   UNL     1       7.459  -0.942  -0.192  1.00  0.00           C  
HETATM   51  C   UNL     1       6.885  -0.675  -1.439  1.00  0.00           C  
HETATM   52  C   UNL     1       5.763   0.117  -1.522  1.00  0.00           C  
HETATM   53  C   UNL     1       8.658  -1.795  -0.098  1.00  0.00           C  
HETATM   54  O   UNL     1       9.156  -2.026   0.986  1.00  0.00           O  
HETATM   55  O   UNL     1       9.202  -2.318  -1.214  1.00  0.00           O  
HETATM   56  H   UNL     1       5.336   0.818   1.767  1.00  0.00           H  
HETATM   57  H   UNL     1       7.334  -0.603   1.930  1.00  0.00           H  
HETATM   58  H   UNL     1       7.320  -1.093  -2.335  1.00  0.00           H  
HETATM   59  H   UNL     1       5.319   0.324  -2.485  1.00  0.00           H  
HETATM   60  H   UNL     1       9.988  -2.871  -1.102  1.00  0.00           H  
CONECT    1   17    5   25                                            
CONECT    2   24   18   10   26                                       
CONECT    3   19   19                                                 
CONECT    4   16    5   27   28                                       
CONECT    5    1    6    4   29                                       
CONECT    6    7    5    9    9                                       
CONECT    7    6   30   47                                            
CONECT    8   10   31   32   33                                       
CONECT    9    6    6                                                 
CONECT   10    2   11    8   34                                       
CONECT   11   20   12   10   35                                       
CONECT   12   13   11   14   36                                       
CONECT   13   22   22   12   37                                       
CONECT   14   12   15   23   38                                       
CONECT   15   14   39   40   41                                       
CONECT   16   17   24    4   42                                       
CONECT   17    1   16   43   44                                       
CONECT   18   19    2   20   20                                       
CONECT   19   21    3    3   18                                       
CONECT   20   18   18   11                                            
CONECT   21   19   45                                                 
CONECT   22   13   13                                                 
CONECT   23   14   46                                                 
CONECT   24   16    2                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   21                                                      
CONECT   46   23                                                      
CONECT   47    7   48   52   52                                       
CONECT   48   47   49   49   56                                       
CONECT   49   48   48   50   57                                       
CONECT   50   49   51   51   53                                       
CONECT   51   50   50   52   58                                       
CONECT   52   51   47   47   59                                       
CONECT   53   50   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   60                                                 
CONECT   56   48                                                      
CONECT   57   49                                                      
CONECT   58   51                                                      
CONECT   59   52                                                      
CONECT   60   55                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
