COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.129   2.432  -1.497  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.208   0.012  -0.827  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.189   0.894  -0.826  1.00  0.00           N  
HETATM    4  C   UNL     1       0.139  -1.085  -0.103  1.00  0.00           C  
HETATM    5  C   UNL     1       0.086  -2.427   0.277  1.00  0.00           C  
HETATM    6  C   UNL     1       2.363  -2.445   0.556  1.00  0.00           C  
HETATM    7  C   UNL     1       2.421  -1.093   0.180  1.00  0.00           C  
HETATM    8  C   UNL     1       3.723  -0.390   0.134  1.00  0.00           C  
HETATM    9  C   UNL     1       4.834  -1.015  -0.436  1.00  0.00           C  
HETATM   10  C   UNL     1       6.045  -0.362  -0.479  1.00  0.00           C  
HETATM   11  C   UNL     1       6.162   0.926   0.048  1.00  0.00           C  
HETATM   12  C   UNL     1       7.462   1.628   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.310  -0.076  -2.350  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.808   0.751   0.004  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.745   0.726   2.556  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.985   0.289   1.487  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.547   1.158  -1.067  1.00  0.00           N  
HETATM   18  N   UNL     1      -2.340  -0.894  -0.461  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.108  -0.367  -0.460  1.00  0.00           C  
HETATM   20  N   UNL     1       1.194  -3.071   0.596  1.00  0.00           N  
HETATM   21  N   UNL     1       1.305  -0.449  -0.140  1.00  0.00           N  
HETATM   22  C   UNL     1       5.050   1.551   0.618  1.00  0.00           C  
HETATM   23  C   UNL     1       3.839   0.900   0.655  1.00  0.00           C  
HETATM   24  O   UNL     1       8.429   1.084  -0.495  1.00  0.00           O  
HETATM   25  N   UNL     1       7.575   2.871   0.510  1.00  0.00           N  
HETATM   26  N   UNL     1       3.525  -3.123   0.891  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.696  -0.192  -0.953  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.178  -1.447  -1.683  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.519   0.296   0.211  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.563   1.199   1.072  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.031   1.186   2.348  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.077   2.508  -2.583  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.170   2.482  -1.178  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.572   3.256  -1.048  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.864  -2.939   0.311  1.00  0.00           H  
HETATM   36  H   UNL     1       4.743  -2.011  -0.843  1.00  0.00           H  
HETATM   37  H   UNL     1       6.904  -0.846  -0.919  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.309   0.353  -2.427  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.637   0.147  -3.178  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.224   0.760  -0.993  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.329   0.717   3.553  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.980  -0.071   1.649  1.00  0.00           H  
HETATM   43  H   UNL     1       5.141   2.548   1.025  1.00  0.00           H  
HETATM   44  H   UNL     1       2.978   1.385   1.091  1.00  0.00           H  
HETATM   45  H   UNL     1       6.803   3.305   0.906  1.00  0.00           H  
HETATM   46  H   UNL     1       8.428   3.332   0.480  1.00  0.00           H  
HETATM   47  H   UNL     1       4.358  -2.636   0.993  1.00  0.00           H  
HETATM   48  H   UNL     1       3.505  -4.084   1.023  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.091  -1.920  -1.321  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.420  -2.125  -2.072  1.00  0.00           H  
HETATM   51  H   UNL     1      -8.568   1.558   0.909  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.624   1.528   3.183  1.00  0.00           H  
CONECT    1   17   32   33   34                                       
CONECT    2   17   18   18   27                                       
CONECT    3   19   19   17                                            
CONECT    4    5   19   21   21                                       
CONECT    5   20   20    4   35                                       
CONECT    6   20   26    7    7                                       
CONECT    7    6    6   21    8                                       
CONECT    8    9    7   23   23                                       
CONECT    9   10   10    8   36                                       
CONECT   10    9    9   11   37                                       
CONECT   11   10   12   22   22                                       
CONECT   12   11   25   24   24                                       
CONECT   13   28   27   38   39                                       
CONECT   14   29   30   30   40                                       
CONECT   15   16   31   31   41                                       
CONECT   16   29   29   15   42                                       
CONECT   17    3    1    2                                            
CONECT   18   19    2    2                                            
CONECT   19    4    3    3   18                                       
CONECT   20    5    5    6                                            
CONECT   21    4    4    7                                            
CONECT   22   11   11   23   43                                       
CONECT   23    8    8   22   44                                       
CONECT   24   12   12                                                 
CONECT   25   12   45   46                                            
CONECT   26    6   47   48                                            
CONECT   27    2   13   28   29                                       
CONECT   28   13   27   49   50                                       
CONECT   29   27   16   16   14                                       
CONECT   30   14   14   31   51                                       
CONECT   31   15   15   30   52                                       
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    5                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   13                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   16                                                      
CONECT   43   22                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
CONECT   49   28                                                      
CONECT   50   28                                                      
CONECT   51   30                                                      
CONECT   52   31                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
