COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.930  -4.035   0.555  1.00  0.00           C  
HETATM    2  N   UNL     1       3.678   3.376   1.271  1.00  0.00           N  
HETATM    3  S   UNL     1       8.208  -4.430  -0.671  1.00  0.00           S  
HETATM    4  C   UNL     1       5.861  -5.131   0.550  1.00  0.00           C  
HETATM    5  N   UNL     1       2.991   2.536   0.578  1.00  0.00           N  
HETATM    6  O   UNL     1       5.227  -5.173  -0.730  1.00  0.00           O  
HETATM    7  S   UNL     1       7.062   0.796  -0.381  1.00  0.00           S  
HETATM    8  C   UNL     1       4.819  -4.822   1.628  1.00  0.00           C  
HETATM    9  N   UNL     1       3.727   2.005  -0.333  1.00  0.00           N  
HETATM   10  O   UNL     1       3.857  -5.877   1.680  1.00  0.00           O  
HETATM   11  S   UNL     1      -7.068   0.795   0.379  1.00  0.00           S  
HETATM   12  C   UNL     1       5.522  -4.703   2.984  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.684   3.379  -1.267  1.00  0.00           N  
HETATM   14  O   UNL     1       6.122  -5.955   3.322  1.00  0.00           O  
HETATM   15  S   UNL     1      -8.204  -4.433   0.672  1.00  0.00           S  
HETATM   16  C   UNL     1       6.604  -3.624   2.895  1.00  0.00           C  
HETATM   17  N   UNL     1      -3.000   2.535  -0.577  1.00  0.00           N  
HETATM   18  O   UNL     1       7.523  -3.957   1.853  1.00  0.00           O  
HETATM   19  C   UNL     1       7.352  -3.540   4.228  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.738   2.004   0.333  1.00  0.00           N  
HETATM   21  O   UNL     1       8.282  -2.456   4.185  1.00  0.00           O  
HETATM   22  C   UNL     1       9.281  -2.969  -0.626  1.00  0.00           C  
HETATM   23  C   UNL     1      10.495  -3.199  -1.531  1.00  0.00           C  
HETATM   24  O   UNL     1      11.255  -4.305  -1.038  1.00  0.00           O  
HETATM   25  C   UNL     1      11.366  -1.939  -1.535  1.00  0.00           C  
HETATM   26  O   UNL     1      12.462  -2.118  -2.434  1.00  0.00           O  
HETATM   27  C   UNL     1      10.518  -0.748  -1.992  1.00  0.00           C  
HETATM   28  O   UNL     1      11.300   0.447  -1.930  1.00  0.00           O  
HETATM   29  C   UNL     1       9.304  -0.612  -1.069  1.00  0.00           C  
HETATM   30  O   UNL     1       8.554  -1.829  -1.088  1.00  0.00           O  
HETATM   31  C   UNL     1       8.420   0.539  -1.555  1.00  0.00           C  
HETATM   32  C   UNL     1       6.142   2.175  -1.117  1.00  0.00           C  
HETATM   33  C   UNL     1       4.961   2.514  -0.243  1.00  0.00           C  
HETATM   34  C   UNL     1       4.938   3.400   0.780  1.00  0.00           C  
HETATM   35  C   UNL     1       3.179   4.173   2.394  1.00  0.00           C  
HETATM   36  C   UNL     1       1.954   4.974   1.947  1.00  0.00           C  
HETATM   37  O   UNL     1       0.892   4.077   1.620  1.00  0.00           O  
HETATM   38  C   UNL     1       1.507   5.900   3.082  1.00  0.00           C  
HETATM   39  O   UNL     1       2.547   6.836   3.372  1.00  0.00           O  
HETATM   40  C   UNL     1       0.246   6.653   2.649  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.220   7.465   3.728  1.00  0.00           O  
HETATM   42  C   UNL     1      -0.836   5.639   2.266  1.00  0.00           C  
HETATM   43  O   UNL     1      -1.992   6.330   1.791  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.298   4.723   1.163  1.00  0.00           C  
HETATM   45  O   UNL     1      -0.002   5.501   0.001  1.00  0.00           O  
HETATM   46  C   UNL     1       0.294   4.721  -1.160  1.00  0.00           C  
HETATM   47  C   UNL     1       0.832   5.634  -2.265  1.00  0.00           C  
HETATM   48  O   UNL     1       1.990   6.325  -1.791  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.248   6.650  -2.649  1.00  0.00           C  
HETATM   50  O   UNL     1       0.220   7.459  -3.730  1.00  0.00           O  
HETATM   51  C   UNL     1      -1.510   5.898  -3.081  1.00  0.00           C  
HETATM   52  O   UNL     1      -2.548   6.835  -3.374  1.00  0.00           O  
HETATM   53  C   UNL     1      -1.959   4.974  -1.945  1.00  0.00           C  
HETATM   54  O   UNL     1      -0.897   4.076  -1.616  1.00  0.00           O  
HETATM   55  C   UNL     1      -3.184   4.174  -2.391  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.946   3.401  -0.779  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.970   2.517   0.245  1.00  0.00           C  
HETATM   58  C   UNL     1      -6.153   2.177   1.115  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.429   0.537   1.549  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.309  -0.616   1.062  1.00  0.00           C  
HETATM   61  O   UNL     1      -8.557  -1.832   1.085  1.00  0.00           O  
HETATM   62  C   UNL     1     -10.526  -0.753   1.981  1.00  0.00           C  
HETATM   63  O   UNL     1     -11.310   0.439   1.916  1.00  0.00           O  
HETATM   64  C   UNL     1     -11.370  -1.947   1.523  1.00  0.00           C  
HETATM   65  O   UNL     1     -12.468  -2.127   2.419  1.00  0.00           O  
HETATM   66  C   UNL     1     -10.496  -3.205   1.523  1.00  0.00           C  
HETATM   67  O   UNL     1     -11.253  -4.312   1.029  1.00  0.00           O  
HETATM   68  C   UNL     1      -9.281  -2.974   0.622  1.00  0.00           C  
HETATM   69  C   UNL     1      -6.924  -4.037  -0.551  1.00  0.00           C  
HETATM   70  C   UNL     1      -5.853  -5.131  -0.541  1.00  0.00           C  
HETATM   71  O   UNL     1      -5.221  -5.169   0.740  1.00  0.00           O  
HETATM   72  C   UNL     1      -4.808  -4.821  -1.617  1.00  0.00           C  
HETATM   73  O   UNL     1      -3.844  -5.875  -1.665  1.00  0.00           O  
HETATM   74  C   UNL     1      -5.508  -4.705  -2.975  1.00  0.00           C  
HETATM   75  O   UNL     1      -6.105  -5.959  -3.312  1.00  0.00           O  
HETATM   76  C   UNL     1      -6.592  -3.628  -2.891  1.00  0.00           C  
HETATM   77  O   UNL     1      -7.514  -3.962  -1.851  1.00  0.00           O  
HETATM   78  C   UNL     1      -7.337  -3.548  -4.225  1.00  0.00           C  
HETATM   79  O   UNL     1      -8.269  -2.466  -4.187  1.00  0.00           O  
HETATM   80  H   UNL     1       6.471  -3.078   0.307  1.00  0.00           H  
HETATM   81  H   UNL     1       6.326  -6.095   0.758  1.00  0.00           H  
HETATM   82  H   UNL     1       5.830  -5.359  -1.462  1.00  0.00           H  
HETATM   83  H   UNL     1       4.318  -3.883   1.393  1.00  0.00           H  
HETATM   84  H   UNL     1       3.377  -6.014   0.852  1.00  0.00           H  
HETATM   85  H   UNL     1       4.796  -4.428   3.749  1.00  0.00           H  
HETATM   86  H   UNL     1       5.493  -6.687   3.391  1.00  0.00           H  
HETATM   87  H   UNL     1       6.141  -2.661   2.678  1.00  0.00           H  
HETATM   88  H   UNL     1       6.639  -3.375   5.035  1.00  0.00           H  
HETATM   89  H   UNL     1       7.889  -4.473   4.402  1.00  0.00           H  
HETATM   90  H   UNL     1       8.793  -2.344   4.998  1.00  0.00           H  
HETATM   91  H   UNL     1       9.618  -2.796   0.396  1.00  0.00           H  
HETATM   92  H   UNL     1      10.158  -3.412  -2.545  1.00  0.00           H  
HETATM   93  H   UNL     1      10.763  -5.136  -1.004  1.00  0.00           H  
HETATM   94  H   UNL     1      11.743  -1.753  -0.529  1.00  0.00           H  
HETATM   95  H   UNL     1      13.042  -2.857  -2.204  1.00  0.00           H  
HETATM   96  H   UNL     1      10.182  -0.911  -3.016  1.00  0.00           H  
HETATM   97  H   UNL     1      12.090   0.428  -2.488  1.00  0.00           H  
HETATM   98  H   UNL     1       9.640  -0.408  -0.053  1.00  0.00           H  
HETATM   99  H   UNL     1       8.012   0.295  -2.536  1.00  0.00           H  
HETATM  100  H   UNL     1       9.016   1.449  -1.626  1.00  0.00           H  
HETATM  101  H   UNL     1       6.794   3.044  -1.199  1.00  0.00           H  
HETATM  102  H   UNL     1       5.790   1.890  -2.108  1.00  0.00           H  
HETATM  103  H   UNL     1       5.761   4.004   1.133  1.00  0.00           H  
HETATM  104  H   UNL     1       2.901   3.512   3.214  1.00  0.00           H  
HETATM  105  H   UNL     1       3.959   4.858   2.728  1.00  0.00           H  
HETATM  106  H   UNL     1       2.210   5.570   1.071  1.00  0.00           H  
HETATM  107  H   UNL     1       1.291   5.307   3.971  1.00  0.00           H  
HETATM  108  H   UNL     1       2.332   7.455   4.083  1.00  0.00           H  
HETATM  109  H   UNL     1       0.475   7.284   1.789  1.00  0.00           H  
HETATM  110  H   UNL     1      -1.018   7.971   3.524  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.100   5.041   3.138  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.719   5.748   1.530  1.00  0.00           H  
HETATM  113  H   UNL     1      -1.048   3.972   0.916  1.00  0.00           H  
HETATM  114  H   UNL     1       1.043   3.969  -0.912  1.00  0.00           H  
HETATM  115  H   UNL     1       1.096   5.035  -3.136  1.00  0.00           H  
HETATM  116  H   UNL     1       2.714   5.742  -1.525  1.00  0.00           H  
HETATM  117  H   UNL     1      -0.476   7.282  -1.791  1.00  0.00           H  
HETATM  118  H   UNL     1       1.022   7.960  -3.528  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.294   5.304  -3.969  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.329   7.455  -4.083  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.213   5.572  -1.070  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.907   3.511  -3.211  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.963   4.860  -2.726  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.769   4.004  -1.136  1.00  0.00           H  
HETATM  125  H   UNL     1      -6.807   3.045   1.194  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.803   1.893   2.108  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.023   0.294   2.531  1.00  0.00           H  
HETATM  128  H   UNL     1      -9.027   1.446   1.617  1.00  0.00           H  
HETATM  129  H   UNL     1      -9.643  -0.414   0.045  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.192  -0.915   3.006  1.00  0.00           H  
HETATM  131  H   UNL     1     -12.099   0.422   2.474  1.00  0.00           H  
HETATM  132  H   UNL     1     -11.746  -1.763   0.517  1.00  0.00           H  
HETATM  133  H   UNL     1     -13.046  -2.868   2.189  1.00  0.00           H  
HETATM  134  H   UNL     1     -10.163  -3.417   2.539  1.00  0.00           H  
HETATM  135  H   UNL     1     -10.762  -5.144   1.001  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.614  -2.803  -0.401  1.00  0.00           H  
HETATM  137  H   UNL     1      -6.468  -3.079  -0.303  1.00  0.00           H  
HETATM  138  H   UNL     1      -6.315  -6.096  -0.749  1.00  0.00           H  
HETATM  139  H   UNL     1      -5.826  -5.356   1.471  1.00  0.00           H  
HETATM  140  H   UNL     1      -4.309  -3.881  -1.382  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.366  -6.009  -0.835  1.00  0.00           H  
HETATM  142  H   UNL     1      -4.779  -4.432  -3.738  1.00  0.00           H  
HETATM  143  H   UNL     1      -5.475  -6.690  -3.378  1.00  0.00           H  
HETATM  144  H   UNL     1      -6.131  -2.664  -2.673  1.00  0.00           H  
HETATM  145  H   UNL     1      -6.621  -3.383  -5.031  1.00  0.00           H  
HETATM  146  H   UNL     1      -7.871  -4.482  -4.400  1.00  0.00           H  
HETATM  147  H   UNL     1      -8.778  -2.356  -5.002  1.00  0.00           H  
CONECT    1   18    3    4   80                                       
CONECT    2   34    5   35                                            
CONECT    3   22    1                                                 
CONECT    4    1    8    6   81                                       
CONECT    5    9    9    2                                            
CONECT    6    4   82                                                 
CONECT    7   32   31                                                 
CONECT    8   12    4   10   83                                       
CONECT    9   33    5    5                                            
CONECT   10    8   84                                                 
CONECT   11   58   59                                                 
CONECT   12   16   14    8   85                                       
CONECT   13   55   56   17                                            
CONECT   14   12   86                                                 
CONECT   15   68   69                                                 
CONECT   16   19   18   12   87                                       
CONECT   17   13   20   20                                            
CONECT   18   16    1                                                 
CONECT   19   21   16   88   89                                       
CONECT   20   17   17   57                                            
CONECT   21   19   90                                                 
CONECT   22   23   30    3   91                                       
CONECT   23   25   24   22   92                                       
CONECT   24   23   93                                                 
CONECT   25   26   27   23   94                                       
CONECT   26   25   95                                                 
CONECT   27   28   25   29   96                                       
CONECT   28   27   97                                                 
CONECT   29   27   30   31   98                                       
CONECT   30   29   22                                                 
CONECT   31   29    7   99  100                                       
CONECT   32    7   33  101  102                                       
CONECT   33   32   34   34    9                                       
CONECT   34   33   33    2  103                                       
CONECT   35    2   36  104  105                                       
CONECT   36   35   38   37  106                                       
CONECT   37   36   44                                                 
CONECT   38   39   36   40  107                                       
CONECT   39   38  108                                                 
CONECT   40   38   41   42  109                                       
CONECT   41   40  110                                                 
CONECT   42   40   44   43  111                                       
CONECT   43   42  112                                                 
CONECT   44   37   42   45  113                                       
CONECT   45   44   46                                                 
CONECT   46   45   54   47  114                                       
CONECT   47   46   48   49  115                                       
CONECT   48   47  116                                                 
CONECT   49   47   51   50  117                                       
CONECT   50   49  118                                                 
CONECT   51   53   49   52  119                                       
CONECT   52   51  120                                                 
CONECT   53   54   55   51  121                                       
CONECT   54   46   53                                                 
CONECT   55   53   13  122  123                                       
CONECT   56   13   57   57  124                                       
CONECT   57   56   56   20   58                                       
CONECT   58   57   11  125  126                                       
CONECT   59   11   60  127  128                                       
CONECT   60   59   62   61  129                                       
CONECT   61   60   68                                                 
CONECT   62   60   63   64  130                                       
CONECT   63   62  131                                                 
CONECT   64   62   65   66  132                                       
CONECT   65   64  133                                                 
CONECT   66   68   64   67  134                                       
CONECT   67   66  135                                                 
CONECT   68   61   15   66  136                                       
CONECT   69   15   70   77  137                                       
CONECT   70   71   69   72  138                                       
CONECT   71   70  139                                                 
CONECT   72   70   73   74  140                                       
CONECT   73   72  141                                                 
CONECT   74   72   76   75  142                                       
CONECT   75   74  143                                                 
CONECT   76   77   74   78  144                                       
CONECT   77   69   76                                                 
CONECT   78   76   79  145  146                                       
CONECT   79   78  147                                                 
CONECT   80    1                                                      
CONECT   81    4                                                      
CONECT   82    6                                                      
CONECT   83    8                                                      
CONECT   84   10                                                      
CONECT   85   12                                                      
CONECT   86   14                                                      
CONECT   87   16                                                      
CONECT   88   19                                                      
CONECT   89   19                                                      
CONECT   90   21                                                      
CONECT   91   22                                                      
CONECT   92   23                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   34                                                      
CONECT  104   35                                                      
CONECT  105   35                                                      
CONECT  106   36                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   40                                                      
CONECT  110   41                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   44                                                      
CONECT  114   46                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   52                                                      
CONECT  121   53                                                      
CONECT  122   55                                                      
CONECT  123   55                                                      
CONECT  124   56                                                      
CONECT  125   58                                                      
CONECT  126   58                                                      
CONECT  127   59                                                      
CONECT  128   59                                                      
CONECT  129   60                                                      
CONECT  130   62                                                      
CONECT  131   63                                                      
CONECT  132   64                                                      
CONECT  133   65                                                      
CONECT  134   66                                                      
CONECT  135   67                                                      
CONECT  136   68                                                      
CONECT  137   69                                                      
CONECT  138   70                                                      
CONECT  139   71                                                      
CONECT  140   72                                                      
CONECT  141   73                                                      
CONECT  142   74                                                      
CONECT  143   75                                                      
CONECT  144   76                                                      
CONECT  145   78                                                      
CONECT  146   78                                                      
CONECT  147   79                                                      
MASTER        0    0    0    0    0    0    0    0  147    0  147    0
END
