COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.320  -0.696  -0.423  1.00  0.00           N  
HETATM    2  N   UNL     1       2.199   0.203  -0.047  1.00  0.00           N  
HETATM    3  C   UNL     1       1.370   1.224   0.133  1.00  0.00           C  
HETATM    4  C   UNL     1       1.895   2.523   0.114  1.00  0.00           C  
HETATM    5  C   UNL     1       3.277   2.693  -0.094  1.00  0.00           C  
HETATM    6  C   UNL     1       1.337   3.867   0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.403  -0.342   0.334  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.412  -1.836   0.702  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.466  -0.752  -0.642  1.00  0.00           C  
HETATM   10  C   UNL     1      -7.674   0.103  -1.031  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.466  -3.564   2.363  1.00  0.00           C  
HETATM   12  C   UNL     1       4.464  -3.152  -0.569  1.00  0.00           C  
HETATM   13  C   UNL     1       3.497   0.403  -0.241  1.00  0.00           C  
HETATM   14  N   UNL     1       4.034   1.611  -0.266  1.00  0.00           N  
HETATM   15  N   UNL     1       3.527   4.037  -0.068  1.00  0.00           N  
HETATM   16  C   UNL     1       2.360   4.729   0.149  1.00  0.00           C  
HETATM   17 CL   UNL     1      -0.329   4.270   0.547  1.00  0.00          Cl  
HETATM   18  O   UNL     1       0.046   1.015   0.330  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.914  -0.378   0.568  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.754  -1.871  -0.053  1.00  0.00           C  
HETATM   21  N   UNL     1      -4.006  -0.506  -0.552  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.676   0.132  -0.681  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.202   0.047  -0.833  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.262   1.189  -1.239  1.00  0.00           O  
HETATM   25  O   UNL     1      -2.609  -2.171   2.078  1.00  0.00           O  
HETATM   26  C   UNL     1       3.776  -1.995  -0.400  1.00  0.00           C  
HETATM   27  N   UNL     1       3.575  -4.175  -0.477  1.00  0.00           N  
HETATM   28  N   UNL     1       2.309  -3.624  -0.239  1.00  0.00           N  
HETATM   29  C   UNL     1       2.428  -2.322  -0.199  1.00  0.00           C  
HETATM   30  C   UNL     1       3.884  -5.602  -0.604  1.00  0.00           C  
HETATM   31  H   UNL     1       5.271  -0.571  -0.570  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.173  -0.803  -0.627  1.00  0.00           H  
HETATM   33  H   UNL     1       0.102  -0.890   1.130  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.701  -2.523   0.244  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.553  -1.051   0.402  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.432  -1.640  -1.273  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.587  -0.475  -0.893  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.707   0.992  -0.400  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.587   0.402  -2.075  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.197  -4.130   1.786  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.461  -3.888   2.093  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.629  -3.736   3.427  1.00  0.00           H  
HETATM   43  H   UNL     1       5.525  -3.244  -0.749  1.00  0.00           H  
HETATM   44  H   UNL     1       4.400   4.443  -0.185  1.00  0.00           H  
HETATM   45  H   UNL     1       2.277   5.804   0.214  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.180   0.204   1.451  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.690  -2.566  -0.891  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.553  -2.173   0.623  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.766   1.218  -0.659  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.179  -0.195  -1.594  1.00  0.00           H  
HETATM   51  H   UNL     1       1.625  -1.618  -0.033  1.00  0.00           H  
HETATM   52  H   UNL     1       4.128  -6.010   0.377  1.00  0.00           H  
HETATM   53  H   UNL     1       3.019  -6.126  -1.011  1.00  0.00           H  
HETATM   54  H   UNL     1       4.734  -5.731  -1.273  1.00  0.00           H  
CONECT    1   13   26   31                                            
CONECT    2    3    3   13                                            
CONECT    3    4    2    2   18                                       
CONECT    4    6    5    5    3                                       
CONECT    5   15    4    4   14                                       
CONECT    6   16   16   17    4                                       
CONECT    7   18   19   32   33                                       
CONECT    8   19   25   20   34                                       
CONECT    9   23   10   35   36                                       
CONECT   10    9   37   38   39                                       
CONECT   11   25   40   41   42                                       
CONECT   12   26   26   27   43                                       
CONECT   13   14   14    2    1                                       
CONECT   14    5   13   13                                            
CONECT   15   16    5   44                                            
CONECT   16   15    6    6   45                                       
CONECT   17    6                                                      
CONECT   18    3    7                                                 
CONECT   19    7    8   22   46                                       
CONECT   20    8   21   47   48                                       
CONECT   21   22   20   23                                            
CONECT   22   19   21   49   50                                       
CONECT   23   21   24   24    9                                       
CONECT   24   23   23                                                 
CONECT   25   11    8                                                 
CONECT   26    1   12   12   29                                       
CONECT   27   12   28   30                                            
CONECT   28   29   29   27                                            
CONECT   29   26   28   28   51                                       
CONECT   30   27   52   53   54                                       
CONECT   31    1                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   19                                                      
CONECT   47   20                                                      
CONECT   48   20                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   29                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
