COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.239  -4.515  -1.260  1.00  0.00           C  
HETATM    2  C   UNL     1       3.355   0.404   1.356  1.00  0.00           C  
HETATM    3  C   UNL     1       2.913   2.630   0.588  1.00  0.00           C  
HETATM    4  C   UNL     1       5.019   1.590   0.102  1.00  0.00           C  
HETATM    5  C   UNL     1       7.113   0.520  -0.245  1.00  0.00           C  
HETATM    6  C   UNL     1       8.548   0.960  -0.386  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.062  -2.467  -0.503  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.254  -0.690  -0.370  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.687  -2.226  -0.022  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.439  -1.215   0.917  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.175  -0.981   1.370  1.00  0.00           C  
HETATM   12  C   UNL     1       0.891  -1.748   0.903  1.00  0.00           C  
HETATM   13  C   UNL     1       0.655  -2.767  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.638  -3.008  -0.498  1.00  0.00           C  
HETATM   15  C   UNL     1       2.861  -2.720   0.434  1.00  0.00           C  
HETATM   16  C   UNL     1       1.961  -3.373  -0.317  1.00  0.00           C  
HETATM   17  C   UNL     1       4.338  -3.018   0.469  1.00  0.00           C  
HETATM   18  C   UNL     1       2.912  -0.833   2.095  1.00  0.00           C  
HETATM   19  C   UNL     1       2.509   1.493   1.265  1.00  0.00           C  
HETATM   20  C   UNL     1       4.163   2.679   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1       4.609   0.449   0.777  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.444  -1.952  -0.515  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.100   0.106   0.750  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.839   1.267   0.880  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.732   1.632  -0.109  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.886   0.836  -1.229  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.148  -0.325  -1.359  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.085  -3.068   0.313  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.539   2.897   0.033  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.594   4.095   0.138  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.443   3.066  -1.190  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.399   2.813   1.296  1.00  0.00           C  
HETATM   33  C   UNL     1       6.813  -0.576  -1.269  1.00  0.00           C  
HETATM   34  N   UNL     1       2.240  -1.743   1.164  1.00  0.00           N  
HETATM   35  N   UNL     1      -4.079  -1.714  -0.038  1.00  0.00           N  
HETATM   36  O   UNL     1       6.249   1.635  -0.474  1.00  0.00           O  
HETATM   37  O   UNL     1       9.542   0.074  -0.213  1.00  0.00           O  
HETATM   38  O   UNL     1       8.804   2.110  -0.654  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.277  -3.343  -1.317  1.00  0.00           O  
HETATM   40 CL   UNL     1       4.672   4.109  -0.842  1.00  0.00          Cl  
HETATM   41  H   UNL     1       2.153  -5.459  -0.722  1.00  0.00           H  
HETATM   42  H   UNL     1       1.519  -4.495  -2.077  1.00  0.00           H  
HETATM   43  H   UNL     1       3.248  -4.417  -1.662  1.00  0.00           H  
HETATM   44  H   UNL     1       2.250   3.480   0.517  1.00  0.00           H  
HETATM   45  H   UNL     1       6.949   0.133   0.760  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.259  -0.615   1.284  1.00  0.00           H  
HETATM   47  H   UNL     1       0.001  -0.199   2.093  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.824  -3.788  -1.221  1.00  0.00           H  
HETATM   49  H   UNL     1       4.541  -3.759   1.242  1.00  0.00           H  
HETATM   50  H   UNL     1       4.653  -3.408  -0.499  1.00  0.00           H  
HETATM   51  H   UNL     1       4.888  -2.103   0.689  1.00  0.00           H  
HETATM   52  H   UNL     1       3.781  -1.330   2.525  1.00  0.00           H  
HETATM   53  H   UNL     1       2.223  -0.553   2.891  1.00  0.00           H  
HETATM   54  H   UNL     1       1.531   1.457   1.722  1.00  0.00           H  
HETATM   55  H   UNL     1       5.269  -0.402   0.849  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.416  -2.248  -1.563  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.402  -0.179   1.523  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.719   1.888   1.755  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.584   1.122  -2.003  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.266  -0.945  -2.236  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.113  -2.773   1.362  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.101  -3.246  -0.042  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.499  -3.981   0.208  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.981   4.155  -0.761  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.177   5.010   0.241  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.950   3.975   1.009  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.116   2.212  -1.265  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.026   3.981  -1.087  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.830   3.125  -2.089  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.755   2.693   2.167  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.983   3.728   1.399  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.073   1.960   1.221  1.00  0.00           H  
HETATM   73  H   UNL     1       7.473  -1.427  -1.095  1.00  0.00           H  
HETATM   74  H   UNL     1       5.776  -0.894  -1.168  1.00  0.00           H  
HETATM   75  H   UNL     1       6.978  -0.189  -2.275  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.908  -1.015   0.612  1.00  0.00           H  
HETATM   77  H   UNL     1      10.445   0.403  -0.313  1.00  0.00           H  
CONECT    1   16   41   42   43                                       
CONECT    2   21   18   19   19                                       
CONECT    3   20   20   19   44                                       
CONECT    4   36   21   21   20                                       
CONECT    5   33   36    6   45                                       
CONECT    6    5   38   38   37                                       
CONECT    7    9   35   39   39                                       
CONECT    8   22   23   23   27                                       
CONECT    9   14   14   10    7                                       
CONECT   10   11   11    9   46                                       
CONECT   11   12   10   10   47                                       
CONECT   12   34   13   13   11                                       
CONECT   13   16   12   12   14                                       
CONECT   14   13    9    9   48                                       
CONECT   15   17   34   16   16                                       
CONECT   16   15   15    1   13                                       
CONECT   17   15   49   50   51                                       
CONECT   18    2   34   52   53                                       
CONECT   19    2    2    3   54                                       
CONECT   20    4   40    3    3                                       
CONECT   21    4    4    2   55                                       
CONECT   22   35   28    8   56                                       
CONECT   23    8    8   24   57                                       
CONECT   24   23   25   25   58                                       
CONECT   25   24   24   26   29                                       
CONECT   26   27   27   25   59                                       
CONECT   27    8   26   26   60                                       
CONECT   28   22   61   62   63                                       
CONECT   29   25   32   30   31                                       
CONECT   30   29   64   65   66                                       
CONECT   31   29   67   68   69                                       
CONECT   32   29   70   71   72                                       
CONECT   33    5   73   74   75                                       
CONECT   34   18   15   12                                            
CONECT   35    7   22   76                                            
CONECT   36    5    4                                                 
CONECT   37    6   77                                                 
CONECT   38    6    6                                                 
CONECT   39    7    7                                                 
CONECT   40   20                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   14                                                      
CONECT   49   17                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   30                                                      
CONECT   67   31                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   33                                                      
CONECT   76   35                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
