COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.494   3.102  -1.466  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.366  -5.969   2.604  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.196  -5.520   0.442  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.197  -4.728   2.591  1.00  0.00           C  
HETATM    5  C   UNL     1      21.856   4.328  -0.536  1.00  0.00           C  
HETATM    6  C   UNL     1      18.541   2.398  -0.865  1.00  0.00           C  
HETATM    7  C   UNL     1      19.592   3.316  -0.237  1.00  0.00           C  
HETATM    8  C   UNL     1      16.276   1.386  -0.566  1.00  0.00           C  
HETATM    9  C   UNL     1      11.747  -0.638   0.032  1.00  0.00           C  
HETATM   10  C   UNL     1       4.696  -4.137   0.367  1.00  0.00           C  
HETATM   11  C   UNL     1      17.327   2.304   0.062  1.00  0.00           C  
HETATM   12  C   UNL     1       5.680  -3.205   1.078  1.00  0.00           C  
HETATM   13  C   UNL     1      25.335   5.434  -1.761  1.00  0.00           C  
HETATM   14  C   UNL     1      24.121   5.340  -0.835  1.00  0.00           C  
HETATM   15  C   UNL     1      23.071   4.422  -1.462  1.00  0.00           C  
HETATM   16  C   UNL     1      20.806   3.410  -1.163  1.00  0.00           C  
HETATM   17  C   UNL     1      15.062   1.292   0.361  1.00  0.00           C  
HETATM   18  C   UNL     1      14.012   0.374  -0.267  1.00  0.00           C  
HETATM   19  C   UNL     1      12.797   0.280   0.659  1.00  0.00           C  
HETATM   20  C   UNL     1      10.533  -0.732   0.958  1.00  0.00           C  
HETATM   21  C   UNL     1       9.498  -1.636   0.340  1.00  0.00           C  
HETATM   22  O   UNL     1       9.710  -2.153  -0.731  1.00  0.00           O  
HETATM   23  C   UNL     1       8.199  -1.896   1.059  1.00  0.00           C  
HETATM   24  S   UNL     1       7.173  -3.016   0.066  1.00  0.00           S  
HETATM   25  N   UNL     1       3.490  -4.291   1.185  1.00  0.00           N  
HETATM   26  C   UNL     1       2.480  -5.072   0.755  1.00  0.00           C  
HETATM   27  O   UNL     1       2.569  -5.649  -0.308  1.00  0.00           O  
HETATM   28  C   UNL     1       1.239  -5.230   1.596  1.00  0.00           C  
HETATM   29  C   UNL     1       0.256  -6.162   0.885  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.950  -6.315   1.702  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.961  -7.096   1.273  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.837  -7.741   0.253  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.244  -7.169   2.060  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.001  -5.847   1.924  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.904  -4.285   0.316  1.00  0.00           O  
HETATM   36  P   UNL     1      -5.285  -3.634  -1.107  1.00  0.00           P  
HETATM   37  O   UNL     1      -4.060  -3.482  -1.923  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.326  -4.593  -1.874  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.957  -2.190  -0.873  1.00  0.00           O  
HETATM   40  P   UNL     1      -6.268  -0.934  -1.831  1.00  0.00           P  
HETATM   41  O   UNL     1      -4.900  -0.146  -2.145  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.863  -1.415  -3.098  1.00  0.00           O  
HETATM   43  O   UNL     1      -7.302   0.058  -1.096  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.856   1.213  -1.729  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.795   1.927  -0.754  1.00  0.00           C  
HETATM   46  C   UNL     1      -9.094   4.343  -0.631  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.691   3.707   0.724  1.00  0.00           C  
HETATM   48  O   UNL     1      -8.040   2.477   0.338  1.00  0.00           O  
HETATM   49  N   UNL     1      -7.761   4.578   1.446  1.00  0.00           N  
HETATM   50  C   UNL     1      -6.401   4.496   1.430  1.00  0.00           C  
HETATM   51  N   UNL     1      -5.890   5.426   2.184  1.00  0.00           N  
HETATM   52  C   UNL     1      -6.888   6.162   2.730  1.00  0.00           C  
HETATM   53  C   UNL     1      -8.100   5.630   2.259  1.00  0.00           C  
HETATM   54  N   UNL     1      -9.243   6.182   2.652  1.00  0.00           N  
HETATM   55  C   UNL     1      -9.244   7.213   3.471  1.00  0.00           C  
HETATM   56  N   UNL     1      -8.131   7.747   3.940  1.00  0.00           N  
HETATM   57  C   UNL     1      -6.940   7.265   3.599  1.00  0.00           C  
HETATM   58  N   UNL     1      -5.779   7.831   4.096  1.00  0.00           N  
HETATM   59  O   UNL     1     -10.205   5.227  -0.469  1.00  0.00           O  
HETATM   60  O   UNL     1     -10.912   2.924  -1.450  1.00  0.00           O  
HETATM   61  P   UNL     1     -11.797   2.818  -2.791  1.00  0.00           P  
HETATM   62  O   UNL     1     -11.265   1.735  -3.649  1.00  0.00           O  
HETATM   63  O   UNL     1     -13.325   2.492  -2.401  1.00  0.00           O  
HETATM   64  O   UNL     1     -11.733   4.215  -3.588  1.00  0.00           O  
HETATM   65  O   UNL     1      -4.052  -8.235   1.556  1.00  0.00           O  
HETATM   66  H   UNL     1      -9.133   3.196  -2.490  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.983  -6.680   2.055  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.232  -6.318   3.628  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.856  -4.995   2.614  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.224  -5.433  -0.042  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.769  -6.317  -0.033  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.778  -3.806   2.578  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.977  -5.004   3.622  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.264  -4.578   2.048  1.00  0.00           H  
HETATM   75  H   UNL     1      22.165   3.922   0.428  1.00  0.00           H  
HETATM   76  H   UNL     1      21.431   5.322  -0.393  1.00  0.00           H  
HETATM   77  H   UNL     1      18.233   2.803  -1.828  1.00  0.00           H  
HETATM   78  H   UNL     1      18.966   1.404  -1.008  1.00  0.00           H  
HETATM   79  H   UNL     1      19.167   4.310  -0.094  1.00  0.00           H  
HETATM   80  H   UNL     1      19.900   2.911   0.726  1.00  0.00           H  
HETATM   81  H   UNL     1      15.968   1.791  -1.529  1.00  0.00           H  
HETATM   82  H   UNL     1      16.701   0.392  -0.709  1.00  0.00           H  
HETATM   83  H   UNL     1      11.439  -0.233  -0.932  1.00  0.00           H  
HETATM   84  H   UNL     1      12.172  -1.632  -0.111  1.00  0.00           H  
HETATM   85  H   UNL     1       4.428  -3.713  -0.600  1.00  0.00           H  
HETATM   86  H   UNL     1       5.162  -5.112   0.220  1.00  0.00           H  
HETATM   87  H   UNL     1      17.635   1.898   1.025  1.00  0.00           H  
HETATM   88  H   UNL     1      16.902   3.298   0.205  1.00  0.00           H  
HETATM   89  H   UNL     1       5.214  -2.231   1.226  1.00  0.00           H  
HETATM   90  H   UNL     1       5.948  -3.630   2.046  1.00  0.00           H  
HETATM   91  H   UNL     1      25.760   4.440  -1.904  1.00  0.00           H  
HETATM   92  H   UNL     1      25.027   5.839  -2.725  1.00  0.00           H  
HETATM   93  H   UNL     1      26.084   6.088  -1.314  1.00  0.00           H  
HETATM   94  H   UNL     1      24.430   4.934   0.129  1.00  0.00           H  
HETATM   95  H   UNL     1      23.696   6.334  -0.691  1.00  0.00           H  
HETATM   96  H   UNL     1      23.496   3.428  -1.606  1.00  0.00           H  
HETATM   97  H   UNL     1      22.762   4.827  -2.426  1.00  0.00           H  
HETATM   98  H   UNL     1      20.497   3.816  -2.127  1.00  0.00           H  
HETATM   99  H   UNL     1      21.231   2.416  -1.307  1.00  0.00           H  
HETATM  100  H   UNL     1      15.371   0.887   1.324  1.00  0.00           H  
HETATM  101  H   UNL     1      14.637   2.286   0.504  1.00  0.00           H  
HETATM  102  H   UNL     1      13.703   0.780  -1.230  1.00  0.00           H  
HETATM  103  H   UNL     1      14.437  -0.620  -0.410  1.00  0.00           H  
HETATM  104  H   UNL     1      12.373   1.274   0.803  1.00  0.00           H  
HETATM  105  H   UNL     1      13.106  -0.125   1.623  1.00  0.00           H  
HETATM  106  H   UNL     1      10.841  -1.138   1.922  1.00  0.00           H  
HETATM  107  H   UNL     1      10.108   0.262   1.102  1.00  0.00           H  
HETATM  108  H   UNL     1       8.404  -2.354   2.026  1.00  0.00           H  
HETATM  109  H   UNL     1       7.671  -0.954   1.206  1.00  0.00           H  
HETATM  110  H   UNL     1       3.419  -3.829   2.035  1.00  0.00           H  
HETATM  111  H   UNL     1       1.507  -5.654   2.563  1.00  0.00           H  
HETATM  112  H   UNL     1       0.774  -4.255   1.743  1.00  0.00           H  
HETATM  113  H   UNL     1      -0.012  -5.737  -0.083  1.00  0.00           H  
HETATM  114  H   UNL     1       0.721  -7.136   0.738  1.00  0.00           H  
HETATM  115  H   UNL     1      -1.021  -5.854   2.553  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.016  -7.352   3.110  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.153  -4.738  -1.395  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.455   0.198  -1.359  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.052   1.889  -2.019  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.414   0.910  -2.614  1.00  0.00           H  
HETATM  121  H   UNL     1      -9.540   1.226  -0.377  1.00  0.00           H  
HETATM  122  H   UNL     1      -8.250   4.861  -1.085  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.574   3.500   1.329  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.831   3.767   0.874  1.00  0.00           H  
HETATM  125  H   UNL     1     -10.191   7.637   3.771  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.829   8.589   4.700  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.916   7.470   3.840  1.00  0.00           H  
HETATM  128  H   UNL     1     -10.004   6.020   0.048  1.00  0.00           H  
HETATM  129  H   UNL     1     -13.917   2.413  -3.161  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.067   4.970  -3.085  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.293  -8.138   0.624  1.00  0.00           H  
CONECT    1   46   60   45   66                                       
CONECT    2   34   67   68   69                                       
CONECT    3   35   34   70   71                                       
CONECT    4   34   72   73   74                                       
CONECT    5   16   15   75   76                                       
CONECT    6    7   11   77   78                                       
CONECT    7    6   16   79   80                                       
CONECT    8   17   11   81   82                                       
CONECT    9   20   19   83   84                                       
CONECT   10   12   25   85   86                                       
CONECT   11    6    8   87   88                                       
CONECT   12   24   10   89   90                                       
CONECT   13   14   91   92   93                                       
CONECT   14   15   13   94   95                                       
CONECT   15    5   14   96   97                                       
CONECT   16    7    5   98   99                                       
CONECT   17   18    8  100  101                                       
CONECT   18   19   17  102  103                                       
CONECT   19    9   18  104  105                                       
CONECT   20   21    9  106  107                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   24   21  108  109                                       
CONECT   24   12   23                                                 
CONECT   25   26   10  110                                            
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   29   26  111  112                                       
CONECT   29   28   30  113  114                                       
CONECT   30   29   31  115                                            
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   65  116                                       
CONECT   34    3   33    4    2                                       
CONECT   35   36    3                                                 
CONECT   36   39   37   37   35                                       
CONECT   36   38                                                      
CONECT   37   36   36                                                 
CONECT   38   36  117                                                 
CONECT   39   40   36                                                 
CONECT   40   42   42   41   39                                       
CONECT   40   43                                                      
CONECT   41   40  118                                                 
CONECT   42   40   40                                                 
CONECT   43   40   44                                                 
CONECT   44   43   45  119  120                                       
CONECT   45    1   48   44  121                                       
CONECT   46   47    1   59  122                                       
CONECT   47   49   46   48  123                                       
CONECT   48   47   45                                                 
CONECT   49   53   50   47                                            
CONECT   50   51   51   49  124                                       
CONECT   51   52   50   50                                            
CONECT   52   57   51   53   53                                       
CONECT   53   52   52   54   49                                       
CONECT   54   55   55   53                                            
CONECT   55   56   54   54  125                                       
CONECT   56   57   57   55                                            
CONECT   57   58   56   56   52                                       
CONECT   58   57  126  127                                            
CONECT   59   46  128                                                 
CONECT   60    1   61                                                 
CONECT   61   62   62   63   60                                       
CONECT   61   64                                                      
CONECT   62   61   61                                                 
CONECT   63   61  129                                                 
CONECT   64   61  130                                                 
CONECT   65   33  131                                                 
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    2                                                      
CONECT   69    2                                                      
CONECT   70    3                                                      
CONECT   71    3                                                      
CONECT   72    4                                                      
CONECT   73    4                                                      
CONECT   74    4                                                      
CONECT   75    5                                                      
CONECT   76    5                                                      
CONECT   77    6                                                      
CONECT   78    6                                                      
CONECT   79    7                                                      
CONECT   80    7                                                      
CONECT   81    8                                                      
CONECT   82    8                                                      
CONECT   83    9                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   11                                                      
CONECT   88   11                                                      
CONECT   89   12                                                      
CONECT   90   12                                                      
CONECT   91   13                                                      
CONECT   92   13                                                      
CONECT   93   13                                                      
CONECT   94   14                                                      
CONECT   95   14                                                      
CONECT   96   15                                                      
CONECT   97   15                                                      
CONECT   98   16                                                      
CONECT   99   16                                                      
CONECT  100   17                                                      
CONECT  101   17                                                      
CONECT  102   18                                                      
CONECT  103   18                                                      
CONECT  104   19                                                      
CONECT  105   19                                                      
CONECT  106   20                                                      
CONECT  107   20                                                      
CONECT  108   23                                                      
CONECT  109   23                                                      
CONECT  110   25                                                      
CONECT  111   28                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   29                                                      
CONECT  115   30                                                      
CONECT  116   33                                                      
CONECT  117   38                                                      
CONECT  118   41                                                      
CONECT  119   44                                                      
CONECT  120   44                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   47                                                      
CONECT  124   50                                                      
CONECT  125   55                                                      
CONECT  126   58                                                      
CONECT  127   58                                                      
CONECT  128   59                                                      
CONECT  129   63                                                      
CONECT  130   64                                                      
CONECT  131   65                                                      
MASTER        0    0    0    0    0    0    0    0  131    0  131    0
END
