COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.014   1.947   0.348  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.986   0.438   0.594  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.606  -0.113   0.227  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.556   0.470   1.175  1.00  0.00           C  
HETATM    5  C   UNL     1       0.803  -0.073   0.814  1.00  0.00           C  
HETATM    6  O   UNL     1       0.920  -0.850  -0.110  1.00  0.00           O  
HETATM    7  N   UNL     1       1.888   0.306   1.518  1.00  0.00           N  
HETATM    8  C   UNL     1       3.209  -0.222   1.167  1.00  0.00           C  
HETATM    9  N   UNL     1       5.322   0.419   0.237  1.00  0.00           N  
HETATM   10  C   UNL     1       6.260   0.568  -0.720  1.00  0.00           C  
HETATM   11  O   UNL     1       5.935   0.908  -1.840  1.00  0.00           O  
HETATM   12  O   UNL     1       7.555   0.338  -0.435  1.00  0.00           O  
HETATM   13  C   UNL     1       8.510   0.517  -1.514  1.00  0.00           C  
HETATM   14  C   UNL     1       9.898   0.218  -1.012  1.00  0.00           C  
HETATM   15  C   UNL     1      10.400  -1.067  -1.091  1.00  0.00           C  
HETATM   16  C   UNL     1      11.675  -1.342  -0.629  1.00  0.00           C  
HETATM   17 CL   UNL     1      12.305  -2.957  -0.729  1.00  0.00          Cl  
HETATM   18  C   UNL     1      12.448  -0.331  -0.088  1.00  0.00           C  
HETATM   19  C   UNL     1      11.945   0.956  -0.009  1.00  0.00           C  
HETATM   20 CL   UNL     1      12.914   2.226   0.669  1.00  0.00          Cl  
HETATM   21  C   UNL     1      10.672   1.231  -0.476  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.051  -0.240  -0.271  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.064  -1.766  -0.009  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.505  -2.120   0.449  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.344  -0.985  -0.148  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.684  -0.732   0.517  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.601  -1.943   0.344  1.00  0.00           C  
HETATM   28  O   UNL     1      -8.015  -3.080   0.981  1.00  0.00           O  
HETATM   29  C   UNL     1      -9.961  -1.647   0.980  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.591  -0.430   0.299  1.00  0.00           C  
HETATM   31  C   UNL     1     -10.782  -0.722  -1.191  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.412   0.494  -1.872  1.00  0.00           C  
HETATM   33  O   UNL     1     -11.590   0.221  -3.264  1.00  0.00           O  
HETATM   34  C   UNL     1     -10.494   1.706  -1.704  1.00  0.00           C  
HETATM   35  C   UNL     1     -10.303   1.998  -0.214  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.671   0.781   0.467  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.476   1.074   1.956  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.317   0.483  -0.179  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.417   1.711  -0.096  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.013   1.415  -0.650  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.441   0.249   0.125  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.474   0.558   1.623  1.00  0.00           C  
HETATM   43  C   UNL     1       3.875   0.637   0.063  1.00  0.00           C  
HETATM   44  C   UNL     1       4.207  -0.047   2.342  1.00  0.00           C  
HETATM   45  C   UNL     1       5.574   0.014   1.627  1.00  0.00           C  
HETATM   46  H   UNL     1      -2.810   2.148  -0.704  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.997   2.340   0.609  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.255   2.430   0.964  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.190   0.237   1.645  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.613  -1.200   0.317  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.365   0.164  -0.799  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.549   1.556   1.085  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.798   0.192   2.201  1.00  0.00           H  
HETATM   54  H   UNL     1       1.794   0.927   2.257  1.00  0.00           H  
HETATM   55  H   UNL     1       3.142  -1.266   0.862  1.00  0.00           H  
HETATM   56  H   UNL     1       8.265  -0.161  -2.332  1.00  0.00           H  
HETATM   57  H   UNL     1       8.466   1.546  -1.871  1.00  0.00           H  
HETATM   58  H   UNL     1       9.797  -1.857  -1.513  1.00  0.00           H  
HETATM   59  H   UNL     1      13.441  -0.546   0.276  1.00  0.00           H  
HETATM   60  H   UNL     1      10.280   2.235  -0.415  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.865  -0.038  -1.326  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.820  -2.305  -0.925  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.349  -2.018   0.774  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.814  -3.083   0.042  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.574  -2.123   1.537  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.475  -1.133  -1.220  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.536  -0.531   1.578  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.734  -2.150  -0.718  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.544  -3.887   0.911  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.615  -2.511   0.858  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.828  -1.440   2.042  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.558  -0.219   0.755  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.814  -0.933  -1.646  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.436  -1.586  -1.311  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.380   0.704  -1.417  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.986   0.950  -3.760  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.527   1.496  -2.160  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.944   2.572  -2.188  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.649   2.862  -0.093  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.270   2.207   0.243  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.443   1.285   2.414  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.026   0.207   2.441  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.821   1.937   2.074  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.474   0.244  -1.231  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.862   2.525  -0.668  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.332   2.013   0.947  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.080   1.146  -1.705  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.375   2.290  -0.529  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.497   0.782   1.925  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.112  -0.306   2.180  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.837   1.417   1.831  1.00  0.00           H  
HETATM   92  H   UNL     1       3.556   0.299  -0.924  1.00  0.00           H  
HETATM   93  H   UNL     1       3.629   1.690   0.202  1.00  0.00           H  
HETATM   94  H   UNL     1       4.012   0.880   2.880  1.00  0.00           H  
HETATM   95  H   UNL     1       4.160  -0.901   3.018  1.00  0.00           H  
HETATM   96  H   UNL     1       6.047  -0.968   1.647  1.00  0.00           H  
HETATM   97  H   UNL     1       6.216   0.746   2.117  1.00  0.00           H  
CONECT    1    2   46   47   48                                       
CONECT    2    1   22    3   49                                       
CONECT    3    2    4   50   51                                       
CONECT    4    3    5   52   53                                       
CONECT    5    6    6    4    7                                       
CONECT    6    5    5                                                 
CONECT    7    5    8   54                                            
CONECT    8   44    7   43   55                                       
CONECT    9   45   10   43                                            
CONECT   10   12    9   11   11                                       
CONECT   11   10   10                                                 
CONECT   12   13   10                                                 
CONECT   13   14   12   56   57                                       
CONECT   14   21   21   15   13                                       
CONECT   15   16   16   14   58                                       
CONECT   16   17   18   15   15                                       
CONECT   17   16                                                      
CONECT   18   19   19   16   59                                       
CONECT   19   20   18   18   21                                       
CONECT   20   19                                                      
CONECT   21   19   14   14   60                                       
CONECT   22   41    2   23   61                                       
CONECT   23   22   24   62   63                                       
CONECT   24   25   23   64   65                                       
CONECT   25   41   26   24   66                                       
CONECT   26   38   25   27   67                                       
CONECT   27   29   26   28   68                                       
CONECT   28   27   69                                                 
CONECT   29   30   27   70   71                                       
CONECT   30   31   36   29   72                                       
CONECT   31   32   30   73   74                                       
CONECT   32   33   34   31   75                                       
CONECT   33   32   76                                                 
CONECT   34   32   35   77   78                                       
CONECT   35   34   36   79   80                                       
CONECT   36   35   37   38   30                                       
CONECT   37   36   81   82   83                                       
CONECT   38   39   36   26   84                                       
CONECT   39   40   38   85   86                                       
CONECT   40   39   41   87   88                                       
CONECT   41   40   25   42   22                                       
CONECT   42   41   89   90   91                                       
CONECT   43    9    8   92   93                                       
CONECT   44   45    8   94   95                                       
CONECT   45   44    9   96   97                                       
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    1                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    7                                                      
CONECT   55    8                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   18                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   40                                                      
CONECT   89   42                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   43                                                      
CONECT   93   43                                                      
CONECT   94   44                                                      
CONECT   95   44                                                      
CONECT   96   45                                                      
CONECT   97   45                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
