COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.490   1.075  -0.414  1.00  0.00           C  
HETATM    2  N   UNL     1       1.261   1.140   0.253  1.00  0.00           N  
HETATM    3  O   UNL     1       4.305  -0.055   2.342  1.00  0.00           O  
HETATM    4 CL   UNL     1       0.808  -1.913   0.587  1.00  0.00          Cl  
HETATM    5  C   UNL     1       2.680   1.785  -1.592  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.636  -0.588  -0.198  1.00  0.00           N  
HETATM    7  O   UNL     1       0.247   0.001  -1.359  1.00  0.00           O  
HETATM    8 CL   UNL     1       6.443   0.866  -2.560  1.00  0.00          Cl  
HETATM    9  C   UNL     1       3.894   1.719  -2.249  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.667   0.748   1.285  1.00  0.00           O  
HETATM   11  C   UNL     1       4.919   0.947  -1.733  1.00  0.00           C  
HETATM   12  O   UNL     1      -9.222  -0.709  -0.431  1.00  0.00           O  
HETATM   13  C   UNL     1       4.732   0.238  -0.559  1.00  0.00           C  
HETATM   14  O   UNL     1      -8.605   0.775   1.086  1.00  0.00           O  
HETATM   15  C   UNL     1       3.523   0.306   0.105  1.00  0.00           C  
HETATM   16  C   UNL     1       3.323  -0.460   1.387  1.00  0.00           C  
HETATM   17  C   UNL     1       3.463  -1.936   1.118  1.00  0.00           C  
HETATM   18  C   UNL     1       2.358  -2.680   0.744  1.00  0.00           C  
HETATM   19  C   UNL     1       2.488  -4.035   0.496  1.00  0.00           C  
HETATM   20  C   UNL     1       3.721  -4.645   0.622  1.00  0.00           C  
HETATM   21  C   UNL     1       4.826  -3.901   0.996  1.00  0.00           C  
HETATM   22  C   UNL     1       4.698  -2.547   1.238  1.00  0.00           C  
HETATM   23  C   UNL     1       0.161   0.600  -0.308  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.177   0.741   0.371  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.221  -0.085  -0.384  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.559   0.056   0.295  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.947  -0.461   0.453  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.975  -0.016  -0.592  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.951  -0.991  -1.772  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.565  -0.975  -2.420  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.522  -1.426  -1.399  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.350  -0.009   0.026  1.00  0.00           C  
HETATM   33  C   UNL     1       1.171   1.794   1.561  1.00  0.00           C  
HETATM   34  C   UNL     1       0.999   3.302   1.366  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.269   3.570   0.552  1.00  0.00           C  
HETATM   36  C   UNL     1       0.882   3.983   2.731  1.00  0.00           C  
HETATM   37  C   UNL     1       2.211   3.861   0.619  1.00  0.00           C  
HETATM   38  H   UNL     1       5.216  -0.207   2.059  1.00  0.00           H  
HETATM   39  H   UNL     1       1.879   2.387  -1.996  1.00  0.00           H  
HETATM   40  H   UNL     1       4.042   2.271  -3.165  1.00  0.00           H  
HETATM   41  H   UNL     1       5.535  -0.364  -0.158  1.00  0.00           H  
HETATM   42  H   UNL     1       2.327  -0.256   1.780  1.00  0.00           H  
HETATM   43  H   UNL     1       1.625  -4.616   0.205  1.00  0.00           H  
HETATM   44  H   UNL     1       3.823  -5.702   0.429  1.00  0.00           H  
HETATM   45  H   UNL     1       5.789  -4.379   1.094  1.00  0.00           H  
HETATM   46  H   UNL     1       5.561  -1.966   1.526  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.103   0.382   1.398  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.475   1.789   0.373  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.295   0.274  -1.410  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.923  -1.133  -0.386  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.243  -1.423   0.871  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.890   0.282   1.248  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.728   0.985  -0.942  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.174  -1.997  -1.416  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.699  -0.691  -2.506  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.556  -1.652  -3.275  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.331   0.036  -2.754  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.525  -1.319  -1.826  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.700  -2.468  -1.136  1.00  0.00           H  
HETATM   60  H   UNL     1       0.314   1.398   2.106  1.00  0.00           H  
HETATM   61  H   UNL     1       2.082   1.603   2.126  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.143   3.285   1.138  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.326   4.630   0.306  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.241   2.985  -0.367  1.00  0.00           H  
HETATM   65  H   UNL     1       1.785   3.792   3.310  1.00  0.00           H  
HETATM   66  H   UNL     1       0.759   5.057   2.592  1.00  0.00           H  
HETATM   67  H   UNL     1       0.018   3.584   3.263  1.00  0.00           H  
HETATM   68  H   UNL     1       2.200   3.504  -0.411  1.00  0.00           H  
HETATM   69  H   UNL     1       2.172   4.951   0.627  1.00  0.00           H  
HETATM   70  H   UNL     1       3.126   3.527   1.109  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.501   0.746   1.447  1.00  0.00           H  
CONECT    1    2    5    5   15                                       
CONECT    2    1   23   33                                            
CONECT    3   16   38                                                 
CONECT    4   18                                                      
CONECT    5    1    1    9   39                                       
CONECT    6   26   27   31                                            
CONECT    7   23   23                                                 
CONECT    8   11                                                      
CONECT    9    5   11   11   40                                       
CONECT   10   26   26                                                 
CONECT   11    8    9    9   13                                       
CONECT   12   32   32                                                 
CONECT   13   11   15   15   41                                       
CONECT   14   32   71                                                 
CONECT   15    1   13   13   16                                       
CONECT   16    3   15   17   42                                       
CONECT   17   16   18   18   22                                       
CONECT   18    4   17   17   19                                       
CONECT   19   18   20   20   43                                       
CONECT   20   19   19   21   44                                       
CONECT   21   20   22   22   45                                       
CONECT   22   17   21   21   46                                       
CONECT   23    2    7    7   24                                       
CONECT   24   23   25   47   48                                       
CONECT   25   24   26   49   50                                       
CONECT   26    6   10   10   25                                       
CONECT   27    6   28   51   52                                       
CONECT   28   27   29   32   53                                       
CONECT   29   28   30   54   55                                       
CONECT   30   29   31   56   57                                       
CONECT   31    6   30   58   59                                       
CONECT   32   12   12   14   28                                       
CONECT   33    2   34   60   61                                       
CONECT   34   33   35   36   37                                       
CONECT   35   34   62   63   64                                       
CONECT   36   34   65   66   67                                       
CONECT   37   34   68   69   70                                       
CONECT   38    3                                                      
CONECT   39    5                                                      
CONECT   40    9                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   25                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   35                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70   37                                                      
CONECT   71   14                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
