COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.059  -1.052   2.706  1.00  0.00           C  
HETATM    2  N   UNL     1      -8.225  -2.992  -0.552  1.00  0.00           N  
HETATM    3  C   UNL     1      -9.389  -0.693   4.132  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.873   0.643  -1.540  1.00  0.00           O  
HETATM    5  C   UNL     1      -5.677  -1.249  -0.381  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.804  -0.030  -0.533  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.099   1.498   0.301  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.227   1.660   1.548  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.458   0.611   2.780  1.00  0.00           C  
HETATM   10  C   UNL     1       0.461  -0.612   2.780  1.00  0.00           C  
HETATM   11  C   UNL     1       2.230  -1.661   1.549  1.00  0.00           C  
HETATM   12  C   UNL     1       3.102  -1.499   0.303  1.00  0.00           C  
HETATM   13  C   UNL     1       4.807   0.028  -0.532  1.00  0.00           C  
HETATM   14  C   UNL     1       5.680   1.247  -0.380  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.830  -0.176   1.743  1.00  0.00           C  
HETATM   16  C   UNL     1       6.552   1.409  -1.627  1.00  0.00           C  
HETATM   17  C   UNL     1       8.324  -0.003  -0.779  1.00  0.00           C  
HETATM   18  C   UNL     1       8.544   0.779   0.454  1.00  0.00           C  
HETATM   19  C   UNL     1       8.528   2.156   0.526  1.00  0.00           C  
HETATM   20  C   UNL     1       9.035   1.053   2.713  1.00  0.00           C  
HETATM   21  C   UNL     1       9.348   0.694   4.142  1.00  0.00           C  
HETATM   22  C   UNL     1       8.818   0.176   1.748  1.00  0.00           C  
HETATM   23  C   UNL     1       8.851  -1.314   1.969  1.00  0.00           C  
HETATM   24  C   UNL     1       8.718   4.220  -0.840  1.00  0.00           C  
HETATM   25  C   UNL     1       9.751   4.984  -0.052  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.865   1.315   1.964  1.00  0.00           C  
HETATM   27  C   UNL     1       7.334   2.692  -1.531  1.00  0.00           C  
HETATM   28  C   UNL     1       9.139  -1.228  -0.953  1.00  0.00           C  
HETATM   29  C   UNL     1       8.578  -2.366  -1.531  1.00  0.00           C  
HETATM   30  C   UNL     1       9.342  -3.503  -1.692  1.00  0.00           C  
HETATM   31  C   UNL     1      10.664  -3.516  -1.279  1.00  0.00           C  
HETATM   32  C   UNL     1      11.226  -2.389  -0.705  1.00  0.00           C  
HETATM   33  C   UNL     1      10.473  -1.244  -0.546  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.319   0.002  -0.780  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.133   1.228  -0.954  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.578   2.357  -1.557  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.539  -0.779   0.454  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.340   3.495  -1.717  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.653   3.519  -1.281  1.00  0.00           C  
HETATM   40  C   UNL     1     -11.210   2.402  -0.681  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.458   1.256  -0.521  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.527  -2.156   0.525  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.719  -4.220  -0.842  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.753  -4.982  -0.055  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.331  -2.695  -1.531  1.00  0.00           C  
HETATM   46  C   UNL     1      -6.549  -1.411  -1.628  1.00  0.00           C  
HETATM   47  N   UNL     1      -8.123  -4.616  -1.939  1.00  0.00           N  
HETATM   48  N   UNL     1      -7.300  -3.712  -2.344  1.00  0.00           N  
HETATM   49  N   UNL     1      -3.947   0.312   0.449  1.00  0.00           N  
HETATM   50  N   UNL     1       3.950  -0.314   0.450  1.00  0.00           N  
HETATM   51  N   UNL     1       7.485   0.283  -1.721  1.00  0.00           N  
HETATM   52  N   UNL     1       8.226   2.992  -0.551  1.00  0.00           N  
HETATM   53  N   UNL     1       8.123   4.616  -1.937  1.00  0.00           N  
HETATM   54  N   UNL     1       7.302   3.710  -2.343  1.00  0.00           N  
HETATM   55  N   UNL     1      -7.482  -0.286  -1.722  1.00  0.00           N  
HETATM   56  O   UNL     1      -1.323   0.557   1.644  1.00  0.00           O  
HETATM   57  O   UNL     1       1.326  -0.558   1.644  1.00  0.00           O  
HETATM   58  O   UNL     1       4.876  -0.646  -1.538  1.00  0.00           O  
HETATM   59  S   UNL     1      -8.920  -2.690   2.097  1.00  0.00           S  
HETATM   60  S   UNL     1       8.909   2.690   2.101  1.00  0.00           S  
HETATM   61 CL   UNL     1      11.619  -4.951  -1.484  1.00  0.00          Cl  
HETATM   62 CL   UNL     1     -11.607   4.956  -1.485  1.00  0.00          Cl  
HETATM   63  H   UNL     1     -10.469  -0.600   4.242  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.021  -1.474   4.797  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.915   0.255   4.386  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.049  -2.132  -0.259  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.314  -1.133   0.496  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.727   2.381   0.180  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.462   1.381  -0.575  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.661   2.589   1.478  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.862   1.687   2.434  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.056   0.617   3.692  1.00  0.00           H  
HETATM   73  H   UNL     1       0.144   1.518   2.735  1.00  0.00           H  
HETATM   74  H   UNL     1       1.058  -0.617   3.692  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.142  -1.519   2.736  1.00  0.00           H  
HETATM   76  H   UNL     1       1.664  -2.590   1.479  1.00  0.00           H  
HETATM   77  H   UNL     1       2.864  -1.688   2.435  1.00  0.00           H  
HETATM   78  H   UNL     1       3.729  -2.382   0.181  1.00  0.00           H  
HETATM   79  H   UNL     1       2.465  -1.383  -0.574  1.00  0.00           H  
HETATM   80  H   UNL     1       5.052   2.130  -0.259  1.00  0.00           H  
HETATM   81  H   UNL     1       6.317   1.131   0.496  1.00  0.00           H  
HETATM   82  H   UNL     1       5.919   1.433  -2.514  1.00  0.00           H  
HETATM   83  H   UNL     1       9.482   1.606   4.725  1.00  0.00           H  
HETATM   84  H   UNL     1       8.526   0.114   4.560  1.00  0.00           H  
HETATM   85  H   UNL     1      10.264   0.104   4.177  1.00  0.00           H  
HETATM   86  H   UNL     1       7.845  -1.671   2.191  1.00  0.00           H  
HETATM   87  H   UNL     1       9.221  -1.807   1.071  1.00  0.00           H  
HETATM   88  H   UNL     1       9.509  -1.543   2.807  1.00  0.00           H  
HETATM   89  H   UNL     1       9.254   5.599   0.698  1.00  0.00           H  
HETATM   90  H   UNL     1      10.423   4.282   0.441  1.00  0.00           H  
HETATM   91  H   UNL     1      10.322   5.623  -0.726  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.901   1.649   2.347  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.074   1.817   1.019  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.646   1.557   2.684  1.00  0.00           H  
HETATM   95  H   UNL     1       7.547  -2.357  -1.852  1.00  0.00           H  
HETATM   96  H   UNL     1       8.908  -4.385  -2.139  1.00  0.00           H  
HETATM   97  H   UNL     1      12.257  -2.405  -0.384  1.00  0.00           H  
HETATM   98  H   UNL     1      10.913  -0.366  -0.097  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.553   2.339  -1.897  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.910   4.370  -2.184  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.235   2.426  -0.342  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.894   0.384  -0.057  1.00  0.00           H  
HETATM  103  H   UNL     1     -10.748  -4.734  -0.426  1.00  0.00           H  
HETATM  104  H   UNL     1      -9.580  -6.052  -0.168  1.00  0.00           H  
HETATM  105  H   UNL     1      -9.681  -4.711   0.998  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.915  -1.436  -2.514  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.892  -0.226   1.255  1.00  0.00           H  
HETATM  108  H   UNL     1       3.895   0.225   1.255  1.00  0.00           H  
CONECT    1    3   59   15   15                                       
CONECT    2   42   43   45                                            
CONECT    3    1   63   64   65                                       
CONECT    4    6    6                                                 
CONECT    5   46    6   66   67                                       
CONECT    6    5   49    4    4                                       
CONECT    7   49    8   68   69                                       
CONECT    8   56    7   70   71                                       
CONECT    9   10   56   72   73                                       
CONECT   10   57    9   74   75                                       
CONECT   11   12   57   76   77                                       
CONECT   12   11   50   78   79                                       
CONECT   13   58   58   50   14                                       
CONECT   14   13   16   80   81                                       
CONECT   15    1    1   37   26                                       
CONECT   16   51   27   14   82                                       
CONECT   17   28   18   51   51                                       
CONECT   18   22   17   19   19                                       
CONECT   19   18   18   60   52                                       
CONECT   20   22   22   21   60                                       
CONECT   21   20   83   84   85                                       
CONECT   22   23   20   20   18                                       
CONECT   23   22   86   87   88                                       
CONECT   24   52   25   53   53                                       
CONECT   25   24   89   90   91                                       
CONECT   26   15   92   93   94                                       
CONECT   27   16   52   54   54                                       
CONECT   28   29   29   33   17                                       
CONECT   29   30   28   28   95                                       
CONECT   30   31   31   29   96                                       
CONECT   31   61   30   30   32                                       
CONECT   32   31   33   33   97                                       
CONECT   33   32   32   28   98                                       
CONECT   34   37   55   55   35                                       
CONECT   35   34   41   41   36                                       
CONECT   36   35   38   38   99                                       
CONECT   37   42   42   15   34                                       
CONECT   38   36   36   39  100                                       
CONECT   39   40   40   38   62                                       
CONECT   40   41   39   39  101                                       
CONECT   41   35   35   40  102                                       
CONECT   42   59    2   37   37                                       
CONECT   43   44    2   47   47                                       
CONECT   44   43  103  104  105                                       
CONECT   45    2   46   48   48                                       
CONECT   46   45    5   55  106                                       
CONECT   47   43   43   48                                            
CONECT   48   47   45   45                                            
CONECT   49    6    7  107                                            
CONECT   50   12   13  108                                            
CONECT   51   17   17   16                                            
CONECT   52   19   27   24                                            
CONECT   53   24   24   54                                            
CONECT   54   27   27   53                                            
CONECT   55   46   34   34                                            
CONECT   56    9    8                                                 
CONECT   57   11   10                                                 
CONECT   58   13   13                                                 
CONECT   59    1   42                                                 
CONECT   60   20   19                                                 
CONECT   61   31                                                      
CONECT   62   39                                                      
CONECT   63    3                                                      
CONECT   64    3                                                      
CONECT   65    3                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    7                                                      
CONECT   69    7                                                      
CONECT   70    8                                                      
CONECT   71    8                                                      
CONECT   72    9                                                      
CONECT   73    9                                                      
CONECT   74   10                                                      
CONECT   75   10                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   16                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   23                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   26                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   36                                                      
CONECT  100   38                                                      
CONECT  101   40                                                      
CONECT  102   41                                                      
CONECT  103   44                                                      
CONECT  104   44                                                      
CONECT  105   44                                                      
CONECT  106   46                                                      
CONECT  107   49                                                      
CONECT  108   50                                                      
MASTER        0    0    0    0    0    0    0    0  108    0  108    0
END
