COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.626  -1.407  -0.180  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.872  -1.013   0.023  1.00  0.00           C  
HETATM    3  C   UNL     1       0.328  -0.533  -0.487  1.00  0.00           C  
HETATM    4  C   UNL     1       0.005   0.799  -0.587  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.320   1.187  -0.368  1.00  0.00           C  
HETATM    6  C   UNL     1       1.035   1.845  -0.919  1.00  0.00           C  
HETATM    7  C   UNL     1       2.277   1.179  -1.515  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.777   4.123  -0.030  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.472   4.788  -0.385  1.00  0.00           C  
HETATM   10  C   UNL     1       1.728  -1.031  -0.720  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.675   2.718  -1.531  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.948   4.214  -1.704  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.446   4.525   0.721  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.188   3.020   0.824  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.384  -3.297   0.418  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.577  -4.187   0.775  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.074  -5.624  -0.426  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.417  -6.438   0.710  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.113  -5.648   0.996  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.594  -3.264  -0.216  1.00  0.00           C  
HETATM   21  C   UNL     1       3.976  -0.354  -0.936  1.00  0.00           C  
HETATM   22  C   UNL     1       4.269  -0.842  -2.192  1.00  0.00           C  
HETATM   23  C   UNL     1       5.555  -1.269  -2.507  1.00  0.00           C  
HETATM   24  C   UNL     1       6.558  -1.218  -1.588  1.00  0.00           C  
HETATM   25  C   UNL     1       6.301  -0.727  -0.296  1.00  0.00           C  
HETATM   26  C   UNL     1       4.996  -0.290   0.037  1.00  0.00           C  
HETATM   27  C   UNL     1       7.318  -0.662   0.674  1.00  0.00           C  
HETATM   28  C   UNL     1       7.035  -0.181   1.915  1.00  0.00           C  
HETATM   29  C   UNL     1       5.751   0.249   2.243  1.00  0.00           C  
HETATM   30  C   UNL     1       4.741   0.200   1.329  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.687   2.520  -0.463  1.00  0.00           N  
HETATM   32  N   UNL     1      -4.522  -4.259  -0.360  1.00  0.00           N  
HETATM   33  N   UNL     1      -2.222   0.259  -0.067  1.00  0.00           N  
HETATM   34  N   UNL     1       2.686   0.076  -0.632  1.00  0.00           N  
HETATM   35  O   UNL     1      -2.953   5.009   1.967  1.00  0.00           O  
HETATM   36  O   UNL     1      -5.780   4.786   0.090  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.813  -1.937   0.333  1.00  0.00           O  
HETATM   38 CL   UNL     1       3.149   0.741   1.758  1.00  0.00          Cl  
HETATM   39  H   UNL     1       0.618   2.546  -1.641  1.00  0.00           H  
HETATM   40  H   UNL     1       1.312   2.381  -0.012  1.00  0.00           H  
HETATM   41  H   UNL     1       2.043   0.789  -2.505  1.00  0.00           H  
HETATM   42  H   UNL     1       3.085   1.907  -1.590  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.815   3.054   0.118  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.628   5.862  -0.491  1.00  0.00           H  
HETATM   45  H   UNL     1       1.974  -1.782   0.032  1.00  0.00           H  
HETATM   46  H   UNL     1       1.790  -1.484  -1.710  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.602   2.208  -1.268  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.288   2.309  -2.464  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.693   4.360  -2.486  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.024   4.723  -1.980  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.515   5.039   0.482  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.447   2.831   1.600  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.117   2.509   1.076  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.619  -3.389   1.189  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.972  -3.609  -0.541  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.078  -3.809   1.665  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.836  -6.074  -1.390  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.154  -5.595  -0.283  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.058  -6.456   1.591  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.189  -7.450   0.376  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.328  -5.920   0.289  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.781  -5.801   2.023  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.160  -2.265  -0.185  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.275  -3.339  -1.063  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.141  -3.452   0.708  1.00  0.00           H  
HETATM   66  H   UNL     1       3.491  -0.893  -2.939  1.00  0.00           H  
HETATM   67  H   UNL     1       5.762  -1.648  -3.497  1.00  0.00           H  
HETATM   68  H   UNL     1       7.550  -1.554  -1.851  1.00  0.00           H  
HETATM   69  H   UNL     1       8.318  -0.993   0.434  1.00  0.00           H  
HETATM   70  H   UNL     1       7.818  -0.133   2.658  1.00  0.00           H  
HETATM   71  H   UNL     1       5.553   0.626   3.235  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.353   4.875   2.714  1.00  0.00           H  
CONECT    1    2    2    3                                            
CONECT    2    1    1   33   37                                       
CONECT    3    1    4    4   10                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   31   33   33                                       
CONECT    6    4   39   40    7                                       
CONECT    7   34   41   42    6                                       
CONECT    8    9   36   36   43                                       
CONECT    9    8   12   13   44                                       
CONECT   10    3   34   45   46                                       
CONECT   11   12   31   47   48                                       
CONECT   12    9   11   49   50                                       
CONECT   13    9   14   35   51                                       
CONECT   14   13   31   52   53                                       
CONECT   15   16   37   54   55                                       
CONECT   16   15   19   32   56                                       
CONECT   17   18   32   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   16   18   61   62                                       
CONECT   20   32   63   64   65                                       
CONECT   21   22   22   26   34                                       
CONECT   22   21   21   23   66                                       
CONECT   23   22   24   24   67                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26   27                                       
CONECT   26   21   25   25   30                                       
CONECT   27   25   28   28   69                                       
CONECT   28   27   27   29   70                                       
CONECT   29   28   30   30   71                                       
CONECT   30   26   29   29   38                                       
CONECT   31    5   11   14                                            
CONECT   32   16   17   20                                            
CONECT   33    2    5    5                                            
CONECT   34    7   10   21                                            
CONECT   35   13   72                                                 
CONECT   36    8    8                                                 
CONECT   37    2   15                                                 
CONECT   38   30                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   20                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   35                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
