COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -3.625  -1.290   4.081  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.489   1.660   3.930  1.00  0.00           C  
HETATM    3  C   UNL     1       2.337   3.668   1.794  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.352  -4.720   4.254  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.879  -5.378   2.956  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.352  -7.026   2.124  1.00  0.00           C  
HETATM    7  C   UNL     1       3.972  -6.230   0.219  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.542   1.506  -5.307  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.539   0.710  -4.027  1.00  0.00           C  
HETATM   10  N   UNL     1      -2.864  -0.390  -3.788  1.00  0.00           N  
HETATM   11  N   UNL     1      -3.080  -0.784  -2.578  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.877   0.049  -1.982  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.371   0.081  -0.571  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.475  -0.815   0.285  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.883  -0.699   1.731  1.00  0.00           C  
HETATM   16  N   UNL     1      -3.228  -1.404   2.675  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.927  -0.084   4.713  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.676   0.896   3.702  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.031   2.299   2.618  1.00  0.00           C  
HETATM   20  O   UNL     1       0.326   2.728   2.752  1.00  0.00           O  
HETATM   21  C   UNL     1       0.898   3.217   1.536  1.00  0.00           C  
HETATM   22  O   UNL     1       3.217   2.977   0.910  1.00  0.00           O  
HETATM   23  C   UNL     1      -3.217  -2.560   4.831  1.00  0.00           C  
HETATM   24  O   UNL     1      -3.278  -3.676   3.941  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.985  -6.448   3.265  1.00  0.00           O  
HETATM   26  C   UNL     1       1.145  -7.188   2.401  1.00  0.00           C  
HETATM   27  O   UNL     1       1.885  -6.843   1.228  1.00  0.00           O  
HETATM   28  C   UNL     1       3.299  -6.827   1.427  1.00  0.00           C  
HETATM   29  N   UNL     1       5.105  -5.498   0.384  1.00  0.00           N  
HETATM   30  C   UNL     1       5.746  -4.983  -0.845  1.00  0.00           C  
HETATM   31  C   UNL     1       4.749  -5.028  -2.005  1.00  0.00           C  
HETATM   32  C   UNL     1       5.309  -4.238  -3.190  1.00  0.00           C  
HETATM   33  C   UNL     1       4.519  -6.481  -2.425  1.00  0.00           C  
HETATM   34  C   UNL     1       3.422  -4.409  -1.561  1.00  0.00           C  
HETATM   35  C   UNL     1       6.168  -3.559  -0.591  1.00  0.00           C  
HETATM   36  N   UNL     1       7.051  -2.945  -1.400  1.00  0.00           N  
HETATM   37  C   UNL     1       7.748  -3.549  -2.536  1.00  0.00           C  
HETATM   38  C   UNL     1       8.222  -2.408  -3.448  1.00  0.00           C  
HETATM   39  O   UNL     1       9.592  -2.601  -3.807  1.00  0.00           O  
HETATM   40  C   UNL     1       8.067  -1.119  -2.625  1.00  0.00           C  
HETATM   41  C   UNL     1       7.457  -1.541  -1.283  1.00  0.00           C  
HETATM   42  C   UNL     1       6.254  -0.696  -0.966  1.00  0.00           C  
HETATM   43  N   UNL     1       6.378   0.610  -0.607  1.00  0.00           N  
HETATM   44  C   UNL     1       5.124   1.329  -0.315  1.00  0.00           C  
HETATM   45  C   UNL     1       5.422   2.756   0.059  1.00  0.00           C  
HETATM   46  C   UNL     1       4.432   3.525   0.661  1.00  0.00           C  
HETATM   47  C   UNL     1       4.690   4.844   1.001  1.00  0.00           C  
HETATM   48  C   UNL     1       5.944   5.395   0.743  1.00  0.00           C  
HETATM   49  C   UNL     1       6.224   6.803   1.099  1.00  0.00           C  
HETATM   50  C   UNL     1       5.447   7.868   0.804  1.00  0.00           C  
HETATM   51  C   UNL     1       4.149   7.749   0.047  1.00  0.00           C  
HETATM   52  N   UNL     1       5.920   9.016   1.235  1.00  0.00           N  
HETATM   53  C   UNL     1       7.042   8.993   1.872  1.00  0.00           C  
HETATM   54  S   UNL     1       7.626   7.390   1.991  1.00  0.00           S  
HETATM   55  C   UNL     1       6.936   4.613   0.147  1.00  0.00           C  
HETATM   56  C   UNL     1       6.666   3.301  -0.191  1.00  0.00           C  
HETATM   57  O   UNL     1       5.148  -1.190  -1.033  1.00  0.00           O  
HETATM   58  O   UNL     1       5.705  -2.958   0.355  1.00  0.00           O  
HETATM   59  O   UNL     1       3.507  -6.400  -0.888  1.00  0.00           O  
HETATM   60  O   UNL     1      -4.800   0.030   2.046  1.00  0.00           O  
HETATM   61  N   UNL     1      -5.772  -0.380  -0.439  1.00  0.00           N  
HETATM   62  C   UNL     1      -6.576   0.169  -1.548  1.00  0.00           C  
HETATM   63  C   UNL     1      -8.034   0.056  -1.183  1.00  0.00           C  
HETATM   64  C   UNL     1      -9.004   0.197  -2.158  1.00  0.00           C  
HETATM   65  C   UNL     1     -10.341   0.093  -1.824  1.00  0.00           C  
HETATM   66  C   UNL     1     -10.709  -0.153  -0.513  1.00  0.00           C  
HETATM   67 CL   UNL     1     -12.388  -0.284  -0.093  1.00  0.00          Cl  
HETATM   68  C   UNL     1      -9.738  -0.294   0.462  1.00  0.00           C  
HETATM   69  C   UNL     1      -8.401  -0.195   0.126  1.00  0.00           C  
HETATM   70  C   UNL     1      -6.280   1.609  -1.877  1.00  0.00           C  
HETATM   71  C   UNL     1      -5.177   1.960  -2.572  1.00  0.00           C  
HETATM   72  S   UNL     1      -5.168   3.675  -2.904  1.00  0.00           S  
HETATM   73  C   UNL     1      -6.666   3.880  -2.002  1.00  0.00           C  
HETATM   74  C   UNL     1      -7.377   5.191  -1.786  1.00  0.00           C  
HETATM   75  C   UNL     1      -7.080   2.699  -1.547  1.00  0.00           C  
HETATM   76  C   UNL     1      -8.331   2.553  -0.719  1.00  0.00           C  
HETATM   77  N   UNL     1      -4.220   0.989  -2.908  1.00  0.00           N  
HETATM   78  H   UNL     1      -4.705  -1.161   4.146  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.695   2.441   4.662  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.704   1.006   4.308  1.00  0.00           H  
HETATM   81  H   UNL     1       2.417   4.742   1.622  1.00  0.00           H  
HETATM   82  H   UNL     1       2.608   3.445   2.826  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.841  -5.464   4.883  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.496  -4.301   4.784  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.739  -5.768   2.412  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.364  -4.640   2.341  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.791  -8.002   1.919  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.494  -6.376   1.261  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.332   1.139  -5.962  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.717   2.558  -5.080  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.578   1.398  -5.805  1.00  0.00           H  
HETATM   92  H   UNL     1      -4.303   1.103  -0.199  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.579  -1.850  -0.039  1.00  0.00           H  
HETATM   94  H   UNL     1      -2.437  -0.503   0.174  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.494  -1.986   2.424  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.567   0.344   5.484  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.983  -0.400   5.156  1.00  0.00           H  
HETATM   98  H   UNL     1      -1.104   1.569   1.812  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.664   3.157   2.391  1.00  0.00           H  
HETATM  100  H   UNL     1       0.312   4.061   1.173  1.00  0.00           H  
HETATM  101  H   UNL     1       0.895   2.423   0.789  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.200  -2.449   5.206  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.897  -2.723   5.666  1.00  0.00           H  
HETATM  104  H   UNL     1       1.436  -6.531   3.221  1.00  0.00           H  
HETATM  105  H   UNL     1       1.355  -8.223   2.672  1.00  0.00           H  
HETATM  106  H   UNL     1       3.657  -7.845   1.575  1.00  0.00           H  
HETATM  107  H   UNL     1       3.536  -6.228   2.307  1.00  0.00           H  
HETATM  108  H   UNL     1       5.474  -5.322   1.263  1.00  0.00           H  
HETATM  109  H   UNL     1       6.619  -5.589  -1.087  1.00  0.00           H  
HETATM  110  H   UNL     1       5.782  -4.923  -3.893  1.00  0.00           H  
HETATM  111  H   UNL     1       4.498  -3.708  -3.689  1.00  0.00           H  
HETATM  112  H   UNL     1       6.046  -3.519  -2.831  1.00  0.00           H  
HETATM  113  H   UNL     1       4.746  -7.141  -1.588  1.00  0.00           H  
HETATM  114  H   UNL     1       3.478  -6.614  -2.720  1.00  0.00           H  
HETATM  115  H   UNL     1       5.169  -6.724  -3.266  1.00  0.00           H  
HETATM  116  H   UNL     1       3.586  -3.374  -1.263  1.00  0.00           H  
HETATM  117  H   UNL     1       2.712  -4.441  -2.388  1.00  0.00           H  
HETATM  118  H   UNL     1       3.023  -4.972  -0.718  1.00  0.00           H  
HETATM  119  H   UNL     1       8.606  -4.120  -2.182  1.00  0.00           H  
HETATM  120  H   UNL     1       7.069  -4.202  -3.083  1.00  0.00           H  
HETATM  121  H   UNL     1       7.602  -2.360  -4.343  1.00  0.00           H  
HETATM  122  H   UNL     1       9.753  -3.400  -4.328  1.00  0.00           H  
HETATM  123  H   UNL     1       9.040  -0.656  -2.466  1.00  0.00           H  
HETATM  124  H   UNL     1       7.401  -0.425  -3.138  1.00  0.00           H  
HETATM  125  H   UNL     1       8.197  -1.440  -0.488  1.00  0.00           H  
HETATM  126  H   UNL     1       7.244   1.044  -0.545  1.00  0.00           H  
HETATM  127  H   UNL     1       4.485   1.314  -1.198  1.00  0.00           H  
HETATM  128  H   UNL     1       4.611   0.839   0.512  1.00  0.00           H  
HETATM  129  H   UNL     1       3.920   5.444   1.464  1.00  0.00           H  
HETATM  130  H   UNL     1       3.322   7.682   0.753  1.00  0.00           H  
HETATM  131  H   UNL     1       4.017   8.626  -0.586  1.00  0.00           H  
HETATM  132  H   UNL     1       4.171   6.853  -0.573  1.00  0.00           H  
HETATM  133  H   UNL     1       7.539   9.861   2.279  1.00  0.00           H  
HETATM  134  H   UNL     1       7.911   5.033  -0.050  1.00  0.00           H  
HETATM  135  H   UNL     1       7.433   2.698  -0.653  1.00  0.00           H  
HETATM  136  H   UNL     1      -6.158  -0.113   0.454  1.00  0.00           H  
HETATM  137  H   UNL     1      -6.396  -0.434  -2.438  1.00  0.00           H  
HETATM  138  H   UNL     1      -8.716   0.389  -3.181  1.00  0.00           H  
HETATM  139  H   UNL     1     -11.098   0.204  -2.586  1.00  0.00           H  
HETATM  140  H   UNL     1     -10.025  -0.490   1.485  1.00  0.00           H  
HETATM  141  H   UNL     1      -7.644  -0.306   0.888  1.00  0.00           H  
HETATM  142  H   UNL     1      -7.015   5.654  -0.868  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.181   5.853  -2.629  1.00  0.00           H  
HETATM  144  H   UNL     1      -8.449   5.014  -1.706  1.00  0.00           H  
HETATM  145  H   UNL     1      -9.166   2.286  -1.367  1.00  0.00           H  
HETATM  146  H   UNL     1      -8.184   1.771   0.026  1.00  0.00           H  
HETATM  147  H   UNL     1      -8.547   3.496  -0.218  1.00  0.00           H  
CONECT    1   16   23   17   78                                       
CONECT    2   18   19   79   80                                       
CONECT    3   22   21   81   82                                       
CONECT    4    5   24   83   84                                       
CONECT    5   25    4   85   86                                       
CONECT    6   26   25   87   88                                       
CONECT    7   59   59   28   29                                       
CONECT    8    9   89   90   91                                       
CONECT    9    8   77   10   10                                       
CONECT   10    9    9   11                                            
CONECT   11   12   12   10                                            
CONECT   12   77   13   11   11                                       
CONECT   13   61   12   14   92                                       
CONECT   14   13   15   93   94                                       
CONECT   15   60   60   14   16                                       
CONECT   16   15    1   95                                            
CONECT   17    1   18   96   97                                       
CONECT   18    2   17                                                 
CONECT   19   20    2   98   99                                       
CONECT   20   21   19                                                 
CONECT   21    3   20  100  101                                       
CONECT   22   46    3                                                 
CONECT   23   24    1  102  103                                       
CONECT   24    4   23                                                 
CONECT   25    5    6                                                 
CONECT   26   27    6  104  105                                       
CONECT   27   28   26                                                 
CONECT   28    7   27  106  107                                       
CONECT   29    7   30  108                                            
CONECT   30   35   29   31  109                                       
CONECT   31   30   32   34   33                                       
CONECT   32   31  110  111  112                                       
CONECT   33   31  113  114  115                                       
CONECT   34   31  116  117  118                                       
CONECT   35   36   58   58   30                                       
CONECT   36   41   37   35                                            
CONECT   37   38   36  119  120                                       
CONECT   38   39   40   37  121                                       
CONECT   39   38  122                                                 
CONECT   40   38   41  123  124                                       
CONECT   41   40   36   42  125                                       
CONECT   42   41   43   57   57                                       
CONECT   43   42   44  126                                            
CONECT   44   43   45  127  128                                       
CONECT   45   56   44   46   46                                       
CONECT   46   45   45   47   22                                       
CONECT   47   48   48   46  129                                       
CONECT   48   55   49   47   47                                       
CONECT   49   54   50   50   48                                       
CONECT   50   52   49   49   51                                       
CONECT   51   50  130  131  132                                       
CONECT   52   53   53   50                                            
CONECT   53   54   52   52  133                                       
CONECT   54   53   49                                                 
CONECT   55   56   56   48  134                                       
CONECT   56   55   55   45  135                                       
CONECT   57   42   42                                                 
CONECT   58   35   35                                                 
CONECT   59    7    7                                                 
CONECT   60   15   15                                                 
CONECT   61   62   13  136                                            
CONECT   62   70   63   61  137                                       
CONECT   63   69   62   64   64                                       
CONECT   64   63   63   65  138                                       
CONECT   65   66   66   64  139                                       
CONECT   66   68   67   65   65                                       
CONECT   67   66                                                      
CONECT   68   69   69   66  140                                       
CONECT   69   68   68   63  141                                       
CONECT   70   75   71   71   62                                       
CONECT   71   72   70   70   77                                       
CONECT   72   73   71                                                 
CONECT   73   74   75   75   72                                       
CONECT   74   73  142  143  144                                       
CONECT   75   76   73   73   70                                       
CONECT   76   75  145  146  147                                       
CONECT   77   71    9   12                                            
CONECT   78    1                                                      
CONECT   79    2                                                      
CONECT   80    2                                                      
CONECT   81    3                                                      
CONECT   82    3                                                      
CONECT   83    4                                                      
CONECT   84    4                                                      
CONECT   85    5                                                      
CONECT   86    5                                                      
CONECT   87    6                                                      
CONECT   88    6                                                      
CONECT   89    8                                                      
CONECT   90    8                                                      
CONECT   91    8                                                      
CONECT   92   13                                                      
CONECT   93   14                                                      
CONECT   94   14                                                      
CONECT   95   16                                                      
CONECT   96   17                                                      
CONECT   97   17                                                      
CONECT   98   19                                                      
CONECT   99   19                                                      
CONECT  100   21                                                      
CONECT  101   21                                                      
CONECT  102   23                                                      
CONECT  103   23                                                      
CONECT  104   26                                                      
CONECT  105   26                                                      
CONECT  106   28                                                      
CONECT  107   28                                                      
CONECT  108   29                                                      
CONECT  109   30                                                      
CONECT  110   32                                                      
CONECT  111   32                                                      
CONECT  112   32                                                      
CONECT  113   33                                                      
CONECT  114   33                                                      
CONECT  115   33                                                      
CONECT  116   34                                                      
CONECT  117   34                                                      
CONECT  118   34                                                      
CONECT  119   37                                                      
CONECT  120   37                                                      
CONECT  121   38                                                      
CONECT  122   39                                                      
CONECT  123   40                                                      
CONECT  124   40                                                      
CONECT  125   41                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   44                                                      
CONECT  129   47                                                      
CONECT  130   51                                                      
CONECT  131   51                                                      
CONECT  132   51                                                      
CONECT  133   53                                                      
CONECT  134   55                                                      
CONECT  135   56                                                      
CONECT  136   61                                                      
CONECT  137   62                                                      
CONECT  138   64                                                      
CONECT  139   65                                                      
CONECT  140   68                                                      
CONECT  141   69                                                      
CONECT  142   74                                                      
CONECT  143   74                                                      
CONECT  144   74                                                      
CONECT  145   76                                                      
CONECT  146   76                                                      
CONECT  147   76                                                      
MASTER        0    0    0    0    0    0    0    0  147    0  147    0
END
