COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -10.468  -1.257  -0.295  1.00  0.00           N  
HETATM    2  N   UNL     1       1.260  -1.573  -0.006  1.00  0.00           N  
HETATM    3  N   UNL     1       3.931  -1.423  -0.980  1.00  0.00           N  
HETATM    4  N   UNL     1      10.099   0.653   0.891  1.00  0.00           N  
HETATM    5  N   UNL     1      -4.847  -0.834  -2.372  1.00  0.00           N1+
HETATM    6  S   UNL     1      -4.467  -4.475   1.325  1.00  0.00           S  
HETATM    7  N   UNL     1      -6.656   0.625  -0.754  1.00  0.00           N  
HETATM    8  N   UNL     1      -3.154  -4.102   2.263  1.00  0.00           N  
HETATM    9  S   UNL     1      -6.045   3.499   0.091  1.00  0.00           S  
HETATM   10  C   UNL     1      12.207  -0.524   0.109  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.504  -2.710  -0.086  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.545  -0.591   0.450  1.00  0.00           C  
HETATM   13  C   UNL     1      10.702   1.262   2.079  1.00  0.00           C  
HETATM   14  O   UNL     1      10.045  -2.606  -2.021  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.701  -0.988  -2.756  1.00  0.00           O  
HETATM   16  O   UNL     1      -3.968  -5.184   0.200  1.00  0.00           O  
HETATM   17  O   UNL     1      -5.450  -5.003   2.204  1.00  0.00           O  
HETATM   18  O   UNL     1      10.607  -0.862  -3.276  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.661  -0.281  -3.090  1.00  0.00           O1-
HETATM   20 CL   UNL     1       4.658   4.010   3.423  1.00  0.00          Cl  
HETATM   21  C   UNL     1      -6.401   7.850  -1.116  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.462   6.988  -1.322  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.229   7.386  -0.545  1.00  0.00           C  
HETATM   24  C   UNL     1       6.050   0.350  -3.409  1.00  0.00           C  
HETATM   25  C   UNL     1       6.679   2.215   3.283  1.00  0.00           C  
HETATM   26  C   UNL     1       5.996   3.215   1.209  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.452  -2.390   2.340  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.535  -3.913   0.480  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.358   5.661  -0.954  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.116   6.060  -0.179  1.00  0.00           C  
HETATM   31  C   UNL     1       7.228   0.471  -2.699  1.00  0.00           C  
HETATM   32  C   UNL     1       7.632   1.471   2.619  1.00  0.00           C  
HETATM   33  C   UNL     1       6.942   2.474   0.532  1.00  0.00           C  
HETATM   34  C   UNL     1       4.957  -0.275  -2.839  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.358  -1.763   1.777  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.441  -3.286  -0.082  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.508  -1.031   0.996  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.998  -2.221   1.477  1.00  0.00           C  
HETATM   39  C   UNL     1       6.217  -0.675  -0.831  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.740  -2.504  -0.543  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.071   0.752  -0.391  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.156  -0.704   0.069  1.00  0.00           C  
HETATM   43  C   UNL     1       1.630  -2.203  -1.281  1.00  0.00           C  
HETATM   44  C   UNL     1       2.398  -1.565   0.923  1.00  0.00           C  
HETATM   45  C   UNL     1       2.792  -1.432  -1.910  1.00  0.00           C  
HETATM   46  C   UNL     1       3.561  -0.793   0.295  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.665   2.817  -0.359  1.00  0.00           C  
HETATM   48  C   UNL     1      10.180  -1.402  -2.117  1.00  0.00           C  
HETATM   49  C   UNL     1       5.860   3.083   2.580  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.044  -3.466   1.693  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.185   5.193  -0.375  1.00  0.00           C  
HETATM   52  C   UNL     1      10.753  -0.137   0.019  1.00  0.00           C  
HETATM   53  C   UNL     1       7.770   1.596   1.235  1.00  0.00           C  
HETATM   54  C   UNL     1       7.319  -0.041  -1.404  1.00  0.00           C  
HETATM   55  C   UNL     1       0.151  -2.209   0.565  1.00  0.00           C  
HETATM   56  C   UNL     1       5.037  -0.788  -1.550  1.00  0.00           C  
HETATM   57  C   UNL     1      -6.137  -0.576  -0.262  1.00  0.00           C  
HETATM   58  C   UNL     1      -5.115  -2.957   0.708  1.00  0.00           C  
HETATM   59  C   UNL     1      -5.250  -1.318  -1.032  1.00  0.00           C  
HETATM   60  C   UNL     1       9.879  -0.535  -0.968  1.00  0.00           C  
HETATM   61  C   UNL     1       8.583   0.083  -0.643  1.00  0.00           C  
HETATM   62  C   UNL     1       8.789   0.803   0.517  1.00  0.00           C  
HETATM   63  C   UNL     1      -7.705   1.328  -0.012  1.00  0.00           C  
HETATM   64  H   UNL     1      12.303  -1.442   0.688  1.00  0.00           H  
HETATM   65  H   UNL     1      12.603  -0.683  -0.894  1.00  0.00           H  
HETATM   66  H   UNL     1      12.765   0.274   0.598  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.311  -2.931   0.964  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.486  -3.093  -0.363  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.741  -3.185  -0.703  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.539   0.475   0.222  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.505  -1.019   0.161  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.390  -0.735   1.519  1.00  0.00           H  
HETATM   73  H   UNL     1      10.598   0.585   2.927  1.00  0.00           H  
HETATM   74  H   UNL     1      11.759   1.452   1.893  1.00  0.00           H  
HETATM   75  H   UNL     1      10.197   2.203   2.301  1.00  0.00           H  
HETATM   76  H   UNL     1      10.792  -1.472  -4.002  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.485   8.887  -1.405  1.00  0.00           H  
HETATM   78  H   UNL     1      -8.374   7.353  -1.772  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.403   8.062  -0.385  1.00  0.00           H  
HETATM   80  H   UNL     1       5.355   3.894   0.666  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.845  -2.045   3.285  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.996  -4.750  -0.023  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.188   4.989  -1.115  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.201   5.698   0.266  1.00  0.00           H  
HETATM   85  H   UNL     1       8.080   0.962  -3.146  1.00  0.00           H  
HETATM   86  H   UNL     1       8.270   0.794   3.168  1.00  0.00           H  
HETATM   87  H   UNL     1       4.037  -0.364  -3.398  1.00  0.00           H  
HETATM   88  H   UNL     1       0.103  -0.925   2.280  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.046  -3.633  -1.026  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.198  -0.456   1.597  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.290  -2.578   2.454  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.046  -3.079  -1.139  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.197   0.800  -1.472  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.857   1.333   0.093  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.030  -0.752   1.151  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.371  -1.285  -0.414  1.00  0.00           H  
HETATM   97  H   UNL     1       1.932  -3.235  -1.103  1.00  0.00           H  
HETATM   98  H   UNL     1       0.774  -2.186  -1.957  1.00  0.00           H  
HETATM   99  H   UNL     1       2.103  -1.082   1.855  1.00  0.00           H  
HETATM  100  H   UNL     1       2.709  -2.589   1.127  1.00  0.00           H  
HETATM  101  H   UNL     1       2.481  -0.407  -2.113  1.00  0.00           H  
HETATM  102  H   UNL     1       3.087  -1.914  -2.842  1.00  0.00           H  
HETATM  103  H   UNL     1       4.416  -0.810   0.970  1.00  0.00           H  
HETATM  104  H   UNL     1       3.258   0.239   0.116  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.445   3.340   0.193  1.00  0.00           H  
HETATM  106  H   UNL     1      -7.828   2.945  -1.429  1.00  0.00           H  
HETATM  107  H   UNL     1      -7.541   1.199   1.058  1.00  0.00           H  
HETATM  108  H   UNL     1      -3.153  -4.323   3.207  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.321   0.993  -1.587  1.00  0.00           H  
HETATM  110  H   UNL     1       5.982   0.747  -4.411  1.00  0.00           H  
HETATM  111  H   UNL     1       6.567   2.116   4.353  1.00  0.00           H  
HETATM  112  H   UNL     1       7.041   2.571  -0.539  1.00  0.00           H  
HETATM  113  H   UNL     1       6.283  -1.077   0.169  1.00  0.00           H  
CONECT    1   42   12   11                                            
CONECT    2   43   44   55                                            
CONECT    3   45   56   46                                            
CONECT    4   62   13   52                                            
CONECT    5   19   59   15   15                                       
CONECT    6   58    8   16   16                                       
CONECT    6   17   17                                                 
CONECT    7   63  109   57                                            
CONECT    8    6   50  108                                            
CONECT    9   47   51                                                 
CONECT   10   52   64   65   66                                       
CONECT   11    1   67   68   69                                       
CONECT   12    1   70   71   72                                       
CONECT   13    4   73   74   75                                       
CONECT   14   48   48                                                 
CONECT   15    5    5                                                 
CONECT   16    6    6                                                 
CONECT   17    6    6                                                 
CONECT   18   76   48                                                 
CONECT   19    5                                                      
CONECT   20   49                                                      
CONECT   21   22   22   77   23                                       
CONECT   22   21   21   29   78                                       
CONECT   23   21   30   30   79                                       
CONECT   24  110   31   34   34                                       
CONECT   25   49  111   32   32                                       
CONECT   26   80   33   49   49                                       
CONECT   27   50   50   35   81                                       
CONECT   28   36   36   82   50                                       
CONECT   29   22   83   51   51                                       
CONECT   30   23   23   51   84                                       
CONECT   31   24   85   54   54                                       
CONECT   32   25   25   53   86                                       
CONECT   33   26  112   53   53                                       
CONECT   34   24   24   87   56                                       
CONECT   35   27   55   55   88                                       
CONECT   36   28   28   89   55                                       
CONECT   37   90   38   57   57                                       
CONECT   38   37   91   58   58                                       
CONECT   39   56   56   54  113                                       
CONECT   40   59   59   58   92                                       
CONECT   41   63   42   93   94                                       
CONECT   42    1   41   95   96                                       
CONECT   43    2   45   97   98                                       
CONECT   44    2   46   99  100                                       
CONECT   45    3   43  101  102                                       
CONECT   46   44    3  103  104                                       
CONECT   47    9  105  106   63                                       
CONECT   48   14   14   18   60                                       
CONECT   49   25   20   26   26                                       
CONECT   50    8   27   27   28                                       
CONECT   51   30    9   29   29                                       
CONECT   52   10    4   60   60                                       
CONECT   53   32   33   33   62                                       
CONECT   54   39   31   31   61                                       
CONECT   55   35   35    2   36                                       
CONECT   56    3   39   39   34                                       
CONECT   57    7   37   37   59                                       
CONECT   58    6   40   38   38                                       
CONECT   59    5   40   40   57                                       
CONECT   60   48   52   52   61                                       
CONECT   61   60   54   62   62                                       
CONECT   62    4   53   61   61                                       
CONECT   63    7   41   47  107                                       
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   11                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   18                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   23                                                      
CONECT   80   26                                                      
CONECT   81   27                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   41                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   47                                                      
CONECT  107   63                                                      
CONECT  108    8                                                      
CONECT  109    7                                                      
CONECT  110   24                                                      
CONECT  111   25                                                      
CONECT  112   33                                                      
CONECT  113   39                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
