COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.262  -0.661  -0.224  1.00  0.00           C  
HETATM    2  C   UNL     1       6.929  -1.259  -0.594  1.00  0.00           C  
HETATM    3  O   UNL     1       6.562  -1.251  -1.745  1.00  0.00           O  
HETATM    4  C   UNL     1       6.053  -1.867   0.471  1.00  0.00           C  
HETATM    5  C   UNL     1       6.623  -3.224   0.887  1.00  0.00           C  
HETATM    6  C   UNL     1       5.820  -3.776   2.036  1.00  0.00           C  
HETATM    7  O   UNL     1       6.141  -4.965   2.570  1.00  0.00           O  
HETATM    8  O   UNL     1       4.886  -3.148   2.477  1.00  0.00           O  
HETATM    9  N   UNL     1       4.698  -2.047  -0.055  1.00  0.00           N  
HETATM   10  C   UNL     1       3.818  -1.027  -0.015  1.00  0.00           C  
HETATM   11  O   UNL     1       4.148   0.040   0.458  1.00  0.00           O  
HETATM   12  C   UNL     1       2.424  -1.213  -0.556  1.00  0.00           C  
HETATM   13  C   UNL     1       2.484  -1.528  -2.033  1.00  0.00           C  
HETATM   14  C   UNL     1       1.510  -1.232  -2.851  1.00  0.00           C  
HETATM   15  C   UNL     1       0.242  -0.552  -2.386  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.758  -1.599  -1.892  1.00  0.00           C  
HETATM   17  N   UNL     1       0.603   0.349  -1.287  1.00  0.00           N  
HETATM   18  N   UNL     1       1.660   0.029  -0.401  1.00  0.00           N  
HETATM   19  C   UNL     1       1.750   1.024   0.480  1.00  0.00           C  
HETATM   20  O   UNL     1       2.547   1.096   1.395  1.00  0.00           O  
HETATM   21  N   UNL     1       0.802   1.939   0.180  1.00  0.00           N  
HETATM   22  C   UNL     1       0.567   3.187   0.911  1.00  0.00           C  
HETATM   23  C   UNL     1       1.418   4.303   0.300  1.00  0.00           C  
HETATM   24  C   UNL     1       1.172   5.606   1.063  1.00  0.00           C  
HETATM   25  C   UNL     1       2.010   6.705   0.462  1.00  0.00           C  
HETATM   26  O   UNL     1       2.729   6.470  -0.480  1.00  0.00           O  
HETATM   27  O   UNL     1       1.957   7.945   0.973  1.00  0.00           O  
HETATM   28  C   UNL     1       0.105   1.522  -0.899  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.816   2.114  -1.425  1.00  0.00           O  
HETATM   30  C   UNL     1      -2.081  -0.915  -1.541  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.039  -1.917  -1.068  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.280  -1.542  -0.699  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.265  -2.573  -0.213  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.603  -0.375  -0.759  1.00  0.00           O  
HETATM   35  C   UNL     1      -6.568  -1.899   0.133  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.548  -1.754  -0.831  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.743  -1.136  -0.514  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.958  -0.662   0.768  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.977  -0.808   1.732  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.785  -1.431   1.416  1.00  0.00           C  
HETATM   41 CL   UNL     1     -10.459   0.115   1.167  1.00  0.00          Cl  
HETATM   42  H   UNL     1       8.891  -1.428   0.229  1.00  0.00           H  
HETATM   43  H   UNL     1       8.748  -0.274  -1.119  1.00  0.00           H  
HETATM   44  H   UNL     1       8.110   0.150   0.488  1.00  0.00           H  
HETATM   45  H   UNL     1       6.022  -1.205   1.337  1.00  0.00           H  
HETATM   46  H   UNL     1       6.573  -3.914   0.044  1.00  0.00           H  
HETATM   47  H   UNL     1       7.662  -3.103   1.195  1.00  0.00           H  
HETATM   48  H   UNL     1       5.596  -5.278   3.306  1.00  0.00           H  
HETATM   49  H   UNL     1       4.434  -2.901  -0.433  1.00  0.00           H  
HETATM   50  H   UNL     1       1.925  -2.023  -0.024  1.00  0.00           H  
HETATM   51  H   UNL     1       3.365  -2.014  -2.426  1.00  0.00           H  
HETATM   52  H   UNL     1       1.613  -1.483  -3.896  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.193   0.020  -3.205  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.928  -2.337  -2.675  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.359  -2.094  -1.007  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.487   3.455   0.843  1.00  0.00           H  
HETATM   57  H   UNL     1       0.841   3.052   1.957  1.00  0.00           H  
HETATM   58  H   UNL     1       2.472   4.035   0.368  1.00  0.00           H  
HETATM   59  H   UNL     1       1.144   4.437  -0.746  1.00  0.00           H  
HETATM   60  H   UNL     1       0.118   5.874   0.995  1.00  0.00           H  
HETATM   61  H   UNL     1       1.446   5.472   2.110  1.00  0.00           H  
HETATM   62  H   UNL     1       2.512   8.617   0.554  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.911  -0.176  -0.757  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.480  -0.419  -2.426  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.780  -2.851  -1.020  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.435  -3.312  -0.996  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.866  -3.068   0.673  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.380  -2.123  -1.832  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.509  -1.022  -1.267  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.144  -0.439   2.734  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.020  -1.549   2.170  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    1    4    3    3                                       
CONECT    3    2    2                                                 
CONECT    4    2    9    5   45                                       
CONECT    5    4    6   46   47                                       
CONECT    6    5    7    8    8                                       
CONECT    7    6   48                                                 
CONECT    8    6    6                                                 
CONECT    9    4   10   49                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   18   13   50                                       
CONECT   13   12   14   14   51                                       
CONECT   14   13   13   15   52                                       
CONECT   15   14   17   16   53                                       
CONECT   16   15   30   54   55                                       
CONECT   17   15   28   18                                            
CONECT   18   12   17   19                                            
CONECT   19   18   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   28   22                                            
CONECT   22   21   23   56   57                                       
CONECT   23   22   24   58   59                                       
CONECT   24   23   25   60   61                                       
CONECT   25   24   27   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   25   62                                                 
CONECT   28   17   21   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   16   31   63   64                                       
CONECT   31   30   32   65                                            
CONECT   32   31   33   34   34                                       
CONECT   33   32   35   66   67                                       
CONECT   34   32   32                                                 
CONECT   35   33   36   36   40                                       
CONECT   36   35   35   37   68                                       
CONECT   37   36   38   38   69                                       
CONECT   38   37   37   39   41                                       
CONECT   39   38   40   40   70                                       
CONECT   40   35   39   39   71                                       
CONECT   41   38                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    4                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    7                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   33                                                      
CONECT   67   33                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
