COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.926   0.035  19.243  1.00  0.00           C  
HETATM    2  C   UNL     1       5.365   0.817  18.053  1.00  0.00           C  
HETATM    3  C   UNL     1       5.324  -0.089  16.821  1.00  0.00           C  
HETATM    4  C   UNL     1       4.763   0.692  15.632  1.00  0.00           C  
HETATM    5  C   UNL     1       4.722  -0.213  14.400  1.00  0.00           C  
HETATM    6  C   UNL     1       4.160   0.568  13.210  1.00  0.00           C  
HETATM    7  C   UNL     1       4.119  -0.337  11.978  1.00  0.00           C  
HETATM    8  C   UNL     1       3.558   0.444  10.789  1.00  0.00           C  
HETATM    9  C   UNL     1       3.517  -0.461   9.556  1.00  0.00           C  
HETATM   10  C   UNL     1       2.955   0.320   8.367  1.00  0.00           C  
HETATM   11  C   UNL     1       2.914  -0.586   7.135  1.00  0.00           C  
HETATM   12  C   UNL     1       2.353   0.195   5.945  1.00  0.00           C  
HETATM   13  C   UNL     1       2.312  -0.710   4.713  1.00  0.00           C  
HETATM   14  C   UNL     1       1.751   0.071   3.524  1.00  0.00           C  
HETATM   15  C   UNL     1       1.710  -0.834   2.292  1.00  0.00           C  
HETATM   16  C   UNL     1       1.148  -0.052   1.102  1.00  0.00           C  
HETATM   17  C   UNL     1       1.107  -0.958  -0.129  1.00  0.00           C  
HETATM   18  C   UNL     1       0.554  -0.188  -1.301  1.00  0.00           C  
HETATM   19  O   UNL     1       0.225   0.970  -1.163  1.00  0.00           O  
HETATM   20  N   UNL     1       0.425  -0.788  -2.501  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.111  -0.039  -3.639  1.00  0.00           C  
HETATM   22  C   UNL     1       1.035   0.641  -4.389  1.00  0.00           C  
HETATM   23  O   UNL     1       1.899  -0.353  -4.942  1.00  0.00           O  
HETATM   24  C   UNL     1       2.944   0.341  -5.626  1.00  0.00           C  
HETATM   25  O   UNL     1       2.380   1.153  -6.653  1.00  0.00           O  
HETATM   26  C   UNL     1       3.426   1.961  -7.188  1.00  0.00           C  
HETATM   27  C   UNL     1       2.834   2.983  -8.161  1.00  0.00           C  
HETATM   28  O   UNL     1       1.897   3.811  -7.469  1.00  0.00           O  
HETATM   29  C   UNL     1       4.434   1.080  -7.930  1.00  0.00           C  
HETATM   30  O   UNL     1       3.769   0.371  -8.978  1.00  0.00           O  
HETATM   31  C   UNL     1       5.047   0.082  -6.941  1.00  0.00           C  
HETATM   32  O   UNL     1       5.878  -0.842  -7.646  1.00  0.00           O  
HETATM   33  S   UNL     1       7.309  -0.342  -7.506  1.00  0.00           S  
HETATM   34  O   UNL     1       7.741  -0.597  -6.069  1.00  0.00           O  
HETATM   35  O   UNL     1       8.100  -1.210  -8.307  1.00  0.00           O  
HETATM   36  O   UNL     1       7.240   1.069  -7.644  1.00  0.00           O  
HETATM   37  C   UNL     1       3.911  -0.672  -6.241  1.00  0.00           C  
HETATM   38  O   UNL     1       4.453  -1.502  -5.211  1.00  0.00           O  
HETATM   39  C   UNL     1      -0.839  -0.999  -4.583  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.303  -0.281  -5.728  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.013  -1.615  -3.866  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.227  -1.441  -4.328  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.401  -2.057  -3.611  1.00  0.00           C  
HETATM   44  C   UNL     1      -5.362  -0.953  -3.166  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.554  -1.578  -2.438  1.00  0.00           C  
HETATM   46  C   UNL     1      -7.515  -0.474  -1.992  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.707  -1.099  -1.265  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.668   0.004  -0.819  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.860  -0.620  -0.091  1.00  0.00           C  
HETATM   50  C   UNL     1     -11.822   0.483   0.353  1.00  0.00           C  
HETATM   51  C   UNL     1     -13.014  -0.141   1.081  1.00  0.00           C  
HETATM   52  C   UNL     1     -13.975   0.961   1.526  1.00  0.00           C  
HETATM   53  C   UNL     1     -15.167   0.336   2.254  1.00  0.00           C  
HETATM   54  C   UNL     1     -16.128   1.440   2.700  1.00  0.00           C  
HETATM   55  C   UNL     1     -17.320   0.815   3.428  1.00  0.00           C  
HETATM   56  H   UNL     1       5.956   0.680  20.121  1.00  0.00           H  
HETATM   57  H   UNL     1       5.289  -0.825  19.446  1.00  0.00           H  
HETATM   58  H   UNL     1       6.935  -0.306  19.009  1.00  0.00           H  
HETATM   59  H   UNL     1       4.357   1.158  18.287  1.00  0.00           H  
HETATM   60  H   UNL     1       6.003   1.677  17.851  1.00  0.00           H  
HETATM   61  H   UNL     1       6.332  -0.431  16.588  1.00  0.00           H  
HETATM   62  H   UNL     1       4.686  -0.949  17.024  1.00  0.00           H  
HETATM   63  H   UNL     1       3.754   1.034  15.865  1.00  0.00           H  
HETATM   64  H   UNL     1       5.400   1.553  15.429  1.00  0.00           H  
HETATM   65  H   UNL     1       5.730  -0.555  14.166  1.00  0.00           H  
HETATM   66  H   UNL     1       4.084  -1.073  14.602  1.00  0.00           H  
HETATM   67  H   UNL     1       3.152   0.910  13.444  1.00  0.00           H  
HETATM   68  H   UNL     1       4.798   1.428  13.007  1.00  0.00           H  
HETATM   69  H   UNL     1       5.128  -0.679  11.745  1.00  0.00           H  
HETATM   70  H   UNL     1       3.482  -1.198  12.181  1.00  0.00           H  
HETATM   71  H   UNL     1       2.549   0.786  11.022  1.00  0.00           H  
HETATM   72  H   UNL     1       4.195   1.304  10.586  1.00  0.00           H  
HETATM   73  H   UNL     1       4.525  -0.803   9.323  1.00  0.00           H  
HETATM   74  H   UNL     1       2.879  -1.322   9.759  1.00  0.00           H  
HETATM   75  H   UNL     1       1.947   0.661   8.600  1.00  0.00           H  
HETATM   76  H   UNL     1       3.593   1.180   8.164  1.00  0.00           H  
HETATM   77  H   UNL     1       3.923  -0.928   6.902  1.00  0.00           H  
HETATM   78  H   UNL     1       2.277  -1.446   7.338  1.00  0.00           H  
HETATM   79  H   UNL     1       1.345   0.537   6.179  1.00  0.00           H  
HETATM   80  H   UNL     1       2.991   1.056   5.743  1.00  0.00           H  
HETATM   81  H   UNL     1       3.320  -1.052   4.480  1.00  0.00           H  
HETATM   82  H   UNL     1       1.674  -1.570   4.916  1.00  0.00           H  
HETATM   83  H   UNL     1       0.742   0.413   3.757  1.00  0.00           H  
HETATM   84  H   UNL     1       2.388   0.931   3.321  1.00  0.00           H  
HETATM   85  H   UNL     1       2.718  -1.176   2.058  1.00  0.00           H  
HETATM   86  H   UNL     1       1.072  -1.695   2.494  1.00  0.00           H  
HETATM   87  H   UNL     1       0.140   0.289   1.336  1.00  0.00           H  
HETATM   88  H   UNL     1       1.786   0.807   0.900  1.00  0.00           H  
HETATM   89  H   UNL     1       2.116  -1.300  -0.362  1.00  0.00           H  
HETATM   90  H   UNL     1       0.470  -1.819   0.073  1.00  0.00           H  
HETATM   91  H   UNL     1       0.688  -1.715  -2.610  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.810   0.715  -3.280  1.00  0.00           H  
HETATM   93  H   UNL     1       0.629   1.256  -5.192  1.00  0.00           H  
HETATM   94  H   UNL     1       1.598   1.269  -3.699  1.00  0.00           H  
HETATM   95  H   UNL     1       3.482   0.972  -4.919  1.00  0.00           H  
HETATM   96  H   UNL     1       3.931   2.484  -6.376  1.00  0.00           H  
HETATM   97  H   UNL     1       3.633   3.601  -8.570  1.00  0.00           H  
HETATM   98  H   UNL     1       2.326   2.460  -8.972  1.00  0.00           H  
HETATM   99  H   UNL     1       1.548   4.439  -8.116  1.00  0.00           H  
HETATM  100  H   UNL     1       5.221   1.704  -8.354  1.00  0.00           H  
HETATM  101  H   UNL     1       3.394   1.036  -9.571  1.00  0.00           H  
HETATM  102  H   UNL     1       5.642   0.618  -6.202  1.00  0.00           H  
HETATM  103  H   UNL     1       8.650  -0.277  -5.990  1.00  0.00           H  
HETATM  104  H   UNL     1       3.382  -1.290  -6.966  1.00  0.00           H  
HETATM  105  H   UNL     1       3.706  -1.957  -4.798  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.154  -1.786  -4.900  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.828   0.460  -5.398  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.854  -2.199  -2.972  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.386  -0.857  -5.222  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.919  -2.741  -4.283  1.00  0.00           H  
HETATM  111  H   UNL     1      -4.047  -2.605  -2.738  1.00  0.00           H  
HETATM  112  H   UNL     1      -4.844  -0.269  -2.493  1.00  0.00           H  
HETATM  113  H   UNL     1      -5.716  -0.405  -4.039  1.00  0.00           H  
HETATM  114  H   UNL     1      -7.072  -2.262  -3.110  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.200  -2.126  -1.564  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.997   0.209  -1.320  1.00  0.00           H  
HETATM  117  H   UNL     1      -7.869   0.073  -2.866  1.00  0.00           H  
HETATM  118  H   UNL     1      -9.225  -1.783  -1.937  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.353  -1.647  -0.391  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.150   0.687  -0.147  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.023   0.551  -1.692  1.00  0.00           H  
HETATM  122  H   UNL     1     -11.379  -1.304  -0.764  1.00  0.00           H  
HETATM  123  H   UNL     1     -10.506  -1.168   0.781  1.00  0.00           H  
HETATM  124  H   UNL     1     -11.303   1.166   1.025  1.00  0.00           H  
HETATM  125  H   UNL     1     -12.176   1.030  -0.519  1.00  0.00           H  
HETATM  126  H   UNL     1     -13.532  -0.825   0.409  1.00  0.00           H  
HETATM  127  H   UNL     1     -12.660  -0.689   1.954  1.00  0.00           H  
HETATM  128  H   UNL     1     -13.457   1.645   2.199  1.00  0.00           H  
HETATM  129  H   UNL     1     -14.329   1.509   0.653  1.00  0.00           H  
HETATM  130  H   UNL     1     -15.685  -0.346   1.582  1.00  0.00           H  
HETATM  131  H   UNL     1     -14.813  -0.210   3.128  1.00  0.00           H  
HETATM  132  H   UNL     1     -15.610   2.124   3.372  1.00  0.00           H  
HETATM  133  H   UNL     1     -16.482   1.988   1.826  1.00  0.00           H  
HETATM  134  H   UNL     1     -18.005   1.602   3.745  1.00  0.00           H  
HETATM  135  H   UNL     1     -17.839   0.132   2.755  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.966   0.268   4.301  1.00  0.00           H  
CONECT    1    2   56   57   58                                       
CONECT    2    1    3   59   60                                       
CONECT    3    2    4   61   62                                       
CONECT    4    3    5   63   64                                       
CONECT    5    4    6   65   66                                       
CONECT    6    5    7   67   68                                       
CONECT    7    6    8   69   70                                       
CONECT    8    7    9   71   72                                       
CONECT    9    8   10   73   74                                       
CONECT   10    9   11   75   76                                       
CONECT   11   10   12   77   78                                       
CONECT   12   11   13   79   80                                       
CONECT   13   12   14   81   82                                       
CONECT   14   13   15   83   84                                       
CONECT   15   14   16   85   86                                       
CONECT   16   15   17   87   88                                       
CONECT   17   16   18   89   90                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21   91                                            
CONECT   21   20   22   39   92                                       
CONECT   22   21   23   93   94                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   37   95                                       
CONECT   25   24   26                                                 
CONECT   26   25   27   29   96                                       
CONECT   27   26   28   97   98                                       
CONECT   28   27   99                                                 
CONECT   29   26   30   31  100                                       
CONECT   30   29  101                                                 
CONECT   31   29   32   37  102                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   35   35                                       
CONECT   33   36   36                                                 
CONECT   34   33  103                                                 
CONECT   35   33   33                                                 
CONECT   36   33   33                                                 
CONECT   37   24   31   38  104                                       
CONECT   38   37  105                                                 
CONECT   39   21   40   41  106                                       
CONECT   40   39  107                                                 
CONECT   41   39   42   42  108                                       
CONECT   42   41   41   43  109                                       
CONECT   43   42   44  110  111                                       
CONECT   44   43   45  112  113                                       
CONECT   45   44   46  114  115                                       
CONECT   46   45   47  116  117                                       
CONECT   47   46   48  118  119                                       
CONECT   48   47   49  120  121                                       
CONECT   49   48   50  122  123                                       
CONECT   50   49   51  124  125                                       
CONECT   51   50   52  126  127                                       
CONECT   52   51   53  128  129                                       
CONECT   53   52   54  130  131                                       
CONECT   54   53   55  132  133                                       
CONECT   55   54  134  135  136                                       
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    6                                                      
CONECT   69    7                                                      
CONECT   70    7                                                      
CONECT   71    8                                                      
CONECT   72    8                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75   10                                                      
CONECT   76   10                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   12                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   14                                                      
CONECT   84   14                                                      
CONECT   85   15                                                      
CONECT   86   15                                                      
CONECT   87   16                                                      
CONECT   88   16                                                      
CONECT   89   17                                                      
CONECT   90   17                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   22                                                      
CONECT   95   24                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   31                                                      
CONECT  103   34                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   40                                                      
CONECT  108   41                                                      
CONECT  109   42                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
CONECT  114   45                                                      
CONECT  115   45                                                      
CONECT  116   46                                                      
CONECT  117   46                                                      
CONECT  118   47                                                      
CONECT  119   47                                                      
CONECT  120   48                                                      
CONECT  121   48                                                      
CONECT  122   49                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   50                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   52                                                      
CONECT  130   53                                                      
CONECT  131   53                                                      
CONECT  132   54                                                      
CONECT  133   54                                                      
CONECT  134   55                                                      
CONECT  135   55                                                      
CONECT  136   55                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
