COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.458  -1.167  -1.188  1.00  0.00           C  
HETATM    2  C   UNL     1       3.448  -0.137  -2.361  1.00  0.00           C  
HETATM    3  C   UNL     1       3.480  -0.180   0.048  1.00  0.00           C  
HETATM    4  C   UNL     1       2.066  -1.771  -1.339  1.00  0.00           C  
HETATM    5  C   UNL     1       4.549  -2.195  -1.268  1.00  0.00           C  
HETATM    6  C   UNL     1       2.104   0.474  -1.843  1.00  0.00           C  
HETATM    7  C   UNL     1       4.716   0.779  -2.388  1.00  0.00           C  
HETATM    8  C   UNL     1       3.325  -0.725  -3.792  1.00  0.00           C  
HETATM    9  C   UNL     1       4.851   0.518   0.108  1.00  0.00           C  
HETATM   10  C   UNL     1       2.338   0.821  -0.347  1.00  0.00           C  
HETATM   11  C   UNL     1       3.182  -0.870   1.349  1.00  0.00           C  
HETATM   12  C   UNL     1       1.258  -0.784  -1.763  1.00  0.00           C  
HETATM   13  C   UNL     1       1.703  -3.171  -1.013  1.00  0.00           C  
HETATM   14  O   UNL     1       4.519  -2.832  -2.464  1.00  0.00           O  
HETATM   15  O   UNL     1       5.358  -2.431  -0.383  1.00  0.00           O  
HETATM   16  C   UNL     1       5.034   1.470  -1.074  1.00  0.00           C  
HETATM   17  O   UNL     1       3.171   0.355  -4.682  1.00  0.00           O  
HETATM   18  C   UNL     1       5.174   1.446   1.274  1.00  0.00           C  
HETATM   19  O   UNL     1       2.167  -0.665   2.006  1.00  0.00           O  
HETATM   20  C   UNL     1       0.700  -3.219   0.143  1.00  0.00           C  
HETATM   21  C   UNL     1       1.139  -3.900  -2.237  1.00  0.00           C  
HETATM   22  C   UNL     1       6.408   2.107  -0.798  1.00  0.00           C  
HETATM   23  C   UNL     1       6.386   2.260   0.760  1.00  0.00           C  
HETATM   24  C   UNL     1       7.584   1.337  -1.395  1.00  0.00           C  
HETATM   25  C   UNL     1       3.011  -0.080  -6.029  1.00  0.00           C  
HETATM   26  C   UNL     1       2.852   1.170  -6.910  1.00  0.00           C  
HETATM   27  C   UNL     1       2.778   0.730  -8.361  1.00  0.00           C  
HETATM   28  C   UNL     1       4.024  -0.075  -8.690  1.00  0.00           C  
HETATM   29  C   UNL     1       4.073  -1.310  -7.801  1.00  0.00           C  
HETATM   30  O   UNL     1       4.136  -0.874  -6.432  1.00  0.00           O  
HETATM   31  C   UNL     1       5.304  -2.160  -8.084  1.00  0.00           C  
HETATM   32  O   UNL     1       3.916  -0.320 -10.093  1.00  0.00           O  
HETATM   33  C   UNL     1       3.424   0.923 -10.659  1.00  0.00           C  
HETATM   34 CL   UNL     1       7.880   1.748   1.586  1.00  0.00          Cl  
HETATM   35  C   UNL     1       2.823   1.680  -9.507  1.00  0.00           C  
HETATM   36  C   UNL     1       2.496   2.975  -9.512  1.00  0.00           C  
HETATM   37  H   UNL     1       5.227  -3.508  -2.537  1.00  0.00           H  
HETATM   38  H   UNL     1       0.195  -0.846  -1.934  1.00  0.00           H  
HETATM   39  H   UNL     1       1.672   1.266  -2.455  1.00  0.00           H  
HETATM   40  H   UNL     1       2.595   1.872  -0.204  1.00  0.00           H  
HETATM   41  H   UNL     1       1.430   0.665   0.253  1.00  0.00           H  
HETATM   42  H   UNL     1       3.944  -1.591   1.691  1.00  0.00           H  
HETATM   43  H   UNL     1       5.631  -0.256   0.096  1.00  0.00           H  
HETATM   44  H   UNL     1       4.336   2.125   1.473  1.00  0.00           H  
HETATM   45  H   UNL     1       5.375   0.895   2.198  1.00  0.00           H  
HETATM   46  H   UNL     1       6.243   3.313   1.025  1.00  0.00           H  
HETATM   47  H   UNL     1       6.428   3.110  -1.244  1.00  0.00           H  
HETATM   48  H   UNL     1       7.916   1.803  -2.328  1.00  0.00           H  
HETATM   49  H   UNL     1       8.428   1.322  -0.699  1.00  0.00           H  
HETATM   50  H   UNL     1       7.297   0.303  -1.611  1.00  0.00           H  
HETATM   51  H   UNL     1       4.336   2.314  -1.005  1.00  0.00           H  
HETATM   52  H   UNL     1       4.602   1.543  -3.168  1.00  0.00           H  
HETATM   53  H   UNL     1       5.568   0.157  -2.687  1.00  0.00           H  
HETATM   54  H   UNL     1       2.458  -1.369  -3.827  1.00  0.00           H  
HETATM   55  H   UNL     1       4.228  -1.274  -4.018  1.00  0.00           H  
HETATM   56  H   UNL     1       2.110  -0.702  -6.069  1.00  0.00           H  
HETATM   57  H   UNL     1       3.188  -1.942  -7.944  1.00  0.00           H  
HETATM   58  H   UNL     1       5.687  -1.959  -9.089  1.00  0.00           H  
HETATM   59  H   UNL     1       6.097  -1.940  -7.363  1.00  0.00           H  
HETATM   60  H   UNL     1       5.060  -3.224  -8.015  1.00  0.00           H  
HETATM   61  H   UNL     1       4.933   0.523  -8.519  1.00  0.00           H  
HETATM   62  H   UNL     1       2.680   0.674 -11.421  1.00  0.00           H  
HETATM   63  H   UNL     1       4.267   1.455 -11.109  1.00  0.00           H  
HETATM   64  H   UNL     1       2.066   3.441  -8.632  1.00  0.00           H  
HETATM   65  H   UNL     1       2.654   3.583 -10.395  1.00  0.00           H  
HETATM   66  H   UNL     1       1.881   0.108  -8.500  1.00  0.00           H  
HETATM   67  H   UNL     1       3.705   1.844  -6.754  1.00  0.00           H  
HETATM   68  H   UNL     1       1.957   1.732  -6.616  1.00  0.00           H  
HETATM   69  H   UNL     1       2.612  -3.707  -0.697  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.234  -2.709  -0.119  1.00  0.00           H  
HETATM   71  H   UNL     1       1.111  -2.732   1.034  1.00  0.00           H  
HETATM   72  H   UNL     1       0.455  -4.252   0.412  1.00  0.00           H  
HETATM   73  H   UNL     1       1.860  -3.887  -3.062  1.00  0.00           H  
HETATM   74  H   UNL     1       0.214  -3.430  -2.591  1.00  0.00           H  
HETATM   75  H   UNL     1       0.917  -4.947  -2.006  1.00  0.00           H  
CONECT    1    5    4    3    2                                       
CONECT    2    1    7    6    8                                       
CONECT    3    1   10   11    9                                       
CONECT    4    1   12   12   13                                       
CONECT    5    1   14   15   15                                       
CONECT    6    2   12   39   10                                       
CONECT    7    2   16   52   53                                       
CONECT    8    2   54   55   17                                       
CONECT    9    3   43   18   16                                       
CONECT   10    3    6   40   41                                       
CONECT   11    3   42   19   19                                       
CONECT   12    4    4    6   38                                       
CONECT   13    4   69   20   21                                       
CONECT   14    5   37                                                 
CONECT   15    5    5                                                 
CONECT   16    7    9   22   51                                       
CONECT   17    8   25                                                 
CONECT   18    9   44   45   23                                       
CONECT   19   11   11                                                 
CONECT   20   13   70   71   72                                       
CONECT   21   13   73   74   75                                       
CONECT   22   16   23   47   24                                       
CONECT   23   18   22   46   34                                       
CONECT   24   22   48   49   50                                       
CONECT   25   17   56   30   26                                       
CONECT   26   25   27   67   68                                       
CONECT   27   26   35   28   66                                       
CONECT   28   27   29   61   32                                       
CONECT   29   28   30   57   31                                       
CONECT   30   25   29                                                 
CONECT   31   29   58   59   60                                       
CONECT   32   28   33                                                 
CONECT   33   32   62   63   35                                       
CONECT   34   23                                                      
CONECT   35   27   33   36   36                                       
CONECT   36   35   35   64   65                                       
CONECT   37   14                                                      
CONECT   38   12                                                      
CONECT   39    6                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43    9                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   23                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   16                                                      
CONECT   52    7                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55    8                                                      
CONECT   56   25                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   28                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   27                                                      
CONECT   67   26                                                      
CONECT   68   26                                                      
CONECT   69   13                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
