COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       0.394   2.149   0.809  1.00  0.00           N  
HETATM    2  C   UNL     1       1.262   2.227  -0.371  1.00  0.00           C  
HETATM    3  C   UNL     1       2.305   1.140  -0.314  1.00  0.00           C  
HETATM    4  O   UNL     1       2.326   0.369   0.622  1.00  0.00           O  
HETATM    5  C   UNL     1       1.945   3.614  -0.339  1.00  0.00           C  
HETATM    6  C   UNL     1       0.980   4.450   0.549  1.00  0.00           C  
HETATM    7  C   UNL     1       0.549   3.391   1.591  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.712  -1.917  -0.120  1.00  0.00           C  
HETATM    9  C   UNL     1       5.755  -2.079   1.346  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.466   1.005   0.822  1.00  0.00           C  
HETATM   11  C   UNL     1       4.793  -0.548  -0.128  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.443  -1.110  -0.027  1.00  0.00           C  
HETATM   13  C   UNL     1       5.073  -3.412   1.171  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.173   1.300  -1.574  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.441   1.378   2.253  1.00  0.00           C  
HETATM   16  C   UNL     1       5.375   0.730  -2.252  1.00  0.00           C  
HETATM   17  C   UNL     1       4.349   0.119  -1.330  1.00  0.00           C  
HETATM   18  C   UNL     1       8.287   0.053   0.333  1.00  0.00           C  
HETATM   19  C   UNL     1       3.241   1.798  -2.566  1.00  0.00           C  
HETATM   20  C   UNL     1       6.907  -1.716  -0.766  1.00  0.00           C  
HETATM   21  C   UNL     1       6.441  -0.167  -2.708  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.211  -2.552   1.001  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.752   0.257   0.588  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.436   1.147   1.154  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.380  -2.019  -1.328  1.00  0.00           C  
HETATM   26  C   UNL     1       8.177  -1.445   0.045  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.661   2.843   2.485  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.378  -3.289   0.917  1.00  0.00           C  
HETATM   29  C   UNL     1       4.491   1.336  -3.360  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.777   3.754   2.193  1.00  0.00           C  
HETATM   31  C   UNL     1       7.067  -1.058  -2.066  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.025  -0.280   2.934  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.046  -3.391  -0.289  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.048   2.087  -2.514  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.930   0.721   3.552  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.544  -2.761  -1.413  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.656  -0.650   3.556  1.00  0.00           C  
HETATM   38  N   UNL     1       5.790  -1.377   0.061  1.00  0.00           N  
HETATM   39  N   UNL     1      -5.603   1.022  -0.327  1.00  0.00           N  
HETATM   40  N   UNL     1       3.213   1.025  -1.303  1.00  0.00           N  
HETATM   41  N   UNL     1      -2.711   0.727   1.904  1.00  0.00           N  
HETATM   42  O   UNL     1       4.143  -0.298   0.865  1.00  0.00           O  
HETATM   43  O   UNL     1       4.925  -4.234   2.222  1.00  0.00           O  
HETATM   44  O   UNL     1       4.659  -3.741   0.085  1.00  0.00           O  
HETATM   45  O   UNL     1      -3.109   1.858   0.037  1.00  0.00           O  
HETATM   46  O   UNL     1      -0.375   0.075   0.590  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.082   0.916  -1.938  1.00  0.00           O  
HETATM   48 CL   UNL     1      -5.757  -1.215  -2.735  1.00  0.00          Cl  
HETATM   49  H   UNL     1       0.667   2.123  -1.278  1.00  0.00           H  
HETATM   50  H   UNL     1       2.932   3.548   0.118  1.00  0.00           H  
HETATM   51  H   UNL     1       2.012   4.034  -1.342  1.00  0.00           H  
HETATM   52  H   UNL     1       1.504   5.279   1.026  1.00  0.00           H  
HETATM   53  H   UNL     1       0.126   4.806  -0.026  1.00  0.00           H  
HETATM   54  H   UNL     1       1.311   3.272   2.360  1.00  0.00           H  
HETATM   55  H   UNL     1       5.204  -1.482   2.072  1.00  0.00           H  
HETATM   56  H   UNL     1       6.773  -2.236   1.702  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.723  -1.635   0.600  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.025  -0.973  -1.024  1.00  0.00           H  
HETATM   59  H   UNL     1       5.839   1.565  -1.726  1.00  0.00           H  
HETATM   60  H   UNL     1       3.959  -0.698  -1.937  1.00  0.00           H  
HETATM   61  H   UNL     1       8.248   0.608  -0.605  1.00  0.00           H  
HETATM   62  H   UNL     1       7.461   0.363   0.973  1.00  0.00           H  
HETATM   63  H   UNL     1       9.233   0.258   0.836  1.00  0.00           H  
HETATM   64  H   UNL     1       3.313   2.864  -2.348  1.00  0.00           H  
HETATM   65  H   UNL     1       2.339   1.597  -3.145  1.00  0.00           H  
HETATM   66  H   UNL     1       6.865  -2.790  -0.947  1.00  0.00           H  
HETATM   67  H   UNL     1       6.734  -0.050  -3.741  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.689  -2.473   1.944  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.271   0.119   1.537  1.00  0.00           H  
HETATM   70  H   UNL     1       9.047  -1.771  -0.524  1.00  0.00           H  
HETATM   71  H   UNL     1       8.131  -1.993   0.986  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.600   3.158   2.916  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.770  -3.782   1.794  1.00  0.00           H  
HETATM   74  H   UNL     1       4.987   2.184  -3.832  1.00  0.00           H  
HETATM   75  H   UNL     1       4.224   0.581  -4.099  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.003   4.792   2.390  1.00  0.00           H  
HETATM   77  H   UNL     1       7.928  -1.423  -2.605  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.485  -1.157   2.480  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.684   0.143   3.693  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.957  -3.967  -0.355  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.838   3.151  -2.401  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.844   1.784  -3.541  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.096   1.897  -2.281  1.00  0.00           H  
HETATM   84  H   UNL     1       0.151   0.586   3.516  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.214   1.314   4.421  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.067  -2.840  -2.355  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.777  -1.025   4.573  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.127  -1.374   2.935  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.476   1.329  -0.035  1.00  0.00           H  
HETATM   90  H   UNL     1       4.482  -5.077   2.061  1.00  0.00           H  
CONECT    1    7   24    2                                            
CONECT    2    5    1    3   49                                       
CONECT    3    2   40    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    2   50   51                                       
CONECT    6    7    5   52   53                                       
CONECT    7   30    6    1   54                                       
CONECT    8   22   22   25   12                                       
CONECT    9   38   13   55   56                                       
CONECT   10   23   45   45   41                                       
CONECT   11   17   42   42   38                                       
CONECT   12    8   23   57   58                                       
CONECT   13    9   44   44   43                                       
CONECT   14   34   39   47   47                                       
CONECT   15   27   41   24   35                                       
CONECT   16   29   17   21   59                                       
CONECT   17   40   16   11   60                                       
CONECT   18   26   61   62   63                                       
CONECT   19   40   29   64   65                                       
CONECT   20   38   31   26   66                                       
CONECT   21   16   31   31   67                                       
CONECT   22   28    8    8   68                                       
CONECT   23   39   12   10   69                                       
CONECT   24   15    1   46   46                                       
CONECT   25   36   36    8   48                                       
CONECT   26   20   18   70   71                                       
CONECT   27   30   30   15   72                                       
CONECT   28   33   33   22   73                                       
CONECT   29   19   16   74   75                                       
CONECT   30   27   27    7   76                                       
CONECT   31   21   21   20   77                                       
CONECT   32   41   37   78   79                                       
CONECT   33   28   28   36   80                                       
CONECT   34   14   81   82   83                                       
CONECT   35   15   37   84   85                                       
CONECT   36   33   25   25   86                                       
CONECT   37   32   35   87   88                                       
CONECT   38   11   20    9                                            
CONECT   39   14   23   89                                            
CONECT   40   19    3   17                                            
CONECT   41   10   32   15                                            
CONECT   42   11   11                                                 
CONECT   43   13   90                                                 
CONECT   44   13   13                                                 
CONECT   45   10   10                                                 
CONECT   46   24   24                                                 
CONECT   47   14   14                                                 
CONECT   48   25                                                      
CONECT   49    2                                                      
CONECT   50    5                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   35                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   39                                                      
CONECT   90   43                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
