COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       9.210   1.308  -0.488  1.00  0.00           N  
HETATM    2  C   UNL     1       8.851   1.169   0.783  1.00  0.00           C  
HETATM    3  C   UNL     1       7.422   1.246   1.155  1.00  0.00           C  
HETATM    4  O   UNL     1       7.089   1.119   2.318  1.00  0.00           O  
HETATM    5  C   UNL     1       9.816   0.949   1.772  1.00  0.00           C  
HETATM    6  O   UNL     1       9.452   0.806   3.071  1.00  0.00           O  
HETATM    7  C   UNL     1      11.157   0.879   1.401  1.00  0.00           C  
HETATM    8  C   UNL     1      11.479   1.031   0.065  1.00  0.00           C  
HETATM    9  C   UNL     1      10.469   1.246  -0.861  1.00  0.00           C  
HETATM   10  N   UNL     1       6.489   1.457   0.206  1.00  0.00           N  
HETATM   11  C   UNL     1       5.073   1.534   0.575  1.00  0.00           C  
HETATM   12  C   UNL     1       4.495   0.146   0.632  1.00  0.00           C  
HETATM   13  O   UNL     1       3.524  -0.087   1.321  1.00  0.00           O  
HETATM   14  C   UNL     1       4.321   2.364  -0.465  1.00  0.00           C  
HETATM   15  O   UNL     1       2.939   2.542  -0.055  1.00  0.00           O  
HETATM   16  C   UNL     1       4.360   1.643  -1.815  1.00  0.00           C  
HETATM   17  N   UNL     1       5.076  -0.850  -0.103  1.00  0.00           N  
HETATM   18  C   UNL     1       4.440  -2.180   0.052  1.00  0.00           C  
HETATM   19  C   UNL     1       3.244  -2.254  -0.860  1.00  0.00           C  
HETATM   20  O   UNL     1       2.912  -1.286  -1.512  1.00  0.00           O  
HETATM   21  C   UNL     1       5.442  -3.274  -0.325  1.00  0.00           C  
HETATM   22  C   UNL     1       6.804  -2.954   0.293  1.00  0.00           C  
HETATM   23  N   UNL     1       2.543  -3.406  -0.947  1.00  0.00           N  
HETATM   24  C   UNL     1       1.380  -3.625  -1.808  1.00  0.00           C  
HETATM   25  C   UNL     1       0.233  -2.751  -1.363  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.112  -2.706  -0.201  1.00  0.00           O  
HETATM   27  C   UNL     1       0.981  -5.098  -1.704  1.00  0.00           C  
HETATM   28  C   UNL     1       2.079  -5.782  -0.875  1.00  0.00           C  
HETATM   29  C   UNL     1       2.832  -4.628  -0.196  1.00  0.00           C  
HETATM   30  N   UNL     1      -0.402  -2.009  -2.325  1.00  0.00           N  
HETATM   31  C   UNL     1      -1.567  -1.228  -1.847  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.427   0.191  -2.324  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.680   0.437  -3.248  1.00  0.00           O  
HETATM   34  C   UNL     1      -1.610  -1.254  -0.318  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.322  -2.499   0.144  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.878  -3.170   1.269  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.528  -4.312   1.695  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.628  -4.786   0.992  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.071  -4.110  -0.138  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.420  -2.966  -0.555  1.00  0.00           C  
HETATM   41  N   UNL     1      -4.287  -5.941   1.419  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.901  -6.581   2.680  1.00  0.00           C  
HETATM   43  C   UNL     1      -5.364  -6.513   0.607  1.00  0.00           C  
HETATM   44  C   UNL     1       0.039  -1.990  -3.722  1.00  0.00           C  
HETATM   45  N   UNL     1      -2.114   1.194  -1.745  1.00  0.00           N  
HETATM   46  C   UNL     1      -1.843   2.573  -2.153  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.154   3.293  -1.021  1.00  0.00           C  
HETATM   48  O   UNL     1      -1.705   3.457   0.046  1.00  0.00           O  
HETATM   49  C   UNL     1      -3.142   3.272  -2.527  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.225   2.954  -1.531  1.00  0.00           C  
HETATM   51  O   UNL     1      -4.906   3.838  -1.068  1.00  0.00           O  
HETATM   52  C   UNL     1      -4.453   1.520  -1.116  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.107   0.913  -0.707  1.00  0.00           C  
HETATM   54  C   UNL     1       2.369   3.725  -0.339  1.00  0.00           C  
HETATM   55  N   UNL     1       0.119   3.754  -1.241  1.00  0.00           N  
HETATM   56  O   UNL     1       3.022   4.596  -0.864  1.00  0.00           O  
HETATM   57  C   UNL     1       0.919   3.972  -0.007  1.00  0.00           C  
HETATM   58  C   UNL     1       0.472   3.012   1.066  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.349   1.252   3.033  1.00  0.00           C  
HETATM   60  C   UNL     1      -0.223   2.598   3.319  1.00  0.00           C  
HETATM   61  C   UNL     1      -0.069   0.786   1.762  1.00  0.00           C  
HETATM   62  C   UNL     1       0.186   3.479   2.335  1.00  0.00           C  
HETATM   63  C   UNL     1       0.341   1.666   0.778  1.00  0.00           C  
HETATM   64  N   UNL     1      -9.604   0.124   1.472  1.00  0.00           N  
HETATM   65  C   UNL     1      -8.180   0.486   1.459  1.00  0.00           C  
HETATM   66  C   UNL     1      -8.035   1.959   1.064  1.00  0.00           C  
HETATM   67  C   UNL     1      -9.430   2.546   0.817  1.00  0.00           C  
HETATM   68  C   UNL     1     -10.110   1.740  -0.297  1.00  0.00           C  
HETATM   69  C   UNL     1     -10.199   0.274   0.136  1.00  0.00           C  
HETATM   70  C   UNL     1     -10.341   0.914   2.468  1.00  0.00           C  
HETATM   71  C   UNL     1     -10.256   2.398   2.102  1.00  0.00           C  
HETATM   72  S   UNL     1      -7.046   2.086  -0.452  1.00  0.00           S  
HETATM   73  C   UNL     1      -5.419   1.476   0.070  1.00  0.00           C  
HETATM   74  H   UNL     1      10.720   1.364  -1.904  1.00  0.00           H  
HETATM   75  H   UNL     1       9.268  -0.107   3.330  1.00  0.00           H  
HETATM   76  H   UNL     1      11.927   0.711   2.140  1.00  0.00           H  
HETATM   77  H   UNL     1      12.509   0.982  -0.256  1.00  0.00           H  
HETATM   78  H   UNL     1       6.755   1.559  -0.721  1.00  0.00           H  
HETATM   79  H   UNL     1       4.978   2.006   1.553  1.00  0.00           H  
HETATM   80  H   UNL     1       4.798   3.339  -0.564  1.00  0.00           H  
HETATM   81  H   UNL     1       3.889   0.665  -1.718  1.00  0.00           H  
HETATM   82  H   UNL     1       3.824   2.234  -2.558  1.00  0.00           H  
HETATM   83  H   UNL     1       5.396   1.518  -2.129  1.00  0.00           H  
HETATM   84  H   UNL     1       5.841  -0.698  -0.680  1.00  0.00           H  
HETATM   85  H   UNL     1       4.121  -2.314   1.086  1.00  0.00           H  
HETATM   86  H   UNL     1       5.089  -4.234   0.050  1.00  0.00           H  
HETATM   87  H   UNL     1       5.537  -3.321  -1.410  1.00  0.00           H  
HETATM   88  H   UNL     1       7.157  -1.993  -0.083  1.00  0.00           H  
HETATM   89  H   UNL     1       6.709  -2.907   1.378  1.00  0.00           H  
HETATM   90  H   UNL     1       7.517  -3.733   0.024  1.00  0.00           H  
HETATM   91  H   UNL     1       1.636  -3.383  -2.842  1.00  0.00           H  
HETATM   92  H   UNL     1       0.018  -5.191  -1.201  1.00  0.00           H  
HETATM   93  H   UNL     1       0.929  -5.543  -2.697  1.00  0.00           H  
HETATM   94  H   UNL     1       1.636  -6.439  -0.127  1.00  0.00           H  
HETATM   95  H   UNL     1       2.751  -6.343  -1.524  1.00  0.00           H  
HETATM   96  H   UNL     1       3.903  -4.826  -0.211  1.00  0.00           H  
HETATM   97  H   UNL     1       2.490  -4.518   0.833  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.485  -1.659  -2.248  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.029  -2.995  -4.138  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.598  -1.315  -4.294  1.00  0.00           H  
HETATM  101  H   UNL     1       1.071  -1.645  -3.772  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.593  -1.250   0.074  1.00  0.00           H  
HETATM  103  H   UNL     1      -2.143  -0.375   0.045  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.023  -2.801   1.815  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.766  -2.437  -1.431  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.181  -4.835   2.573  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.925  -4.477  -0.687  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.491  -6.161   3.495  1.00  0.00           H  
HETATM  109  H   UNL     1      -4.083  -7.653   2.614  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.843  -6.402   2.868  1.00  0.00           H  
HETATM  111  H   UNL     1      -5.460  -5.947  -0.319  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.132  -7.553   0.376  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.302  -6.465   1.162  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.175   2.559  -3.022  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.215  -0.165  -0.589  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.782   1.352   0.236  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.977   4.349  -2.546  1.00  0.00           H  
HETATM  118  H   UNL     1      -3.456   2.940  -3.516  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.870   0.959  -1.952  1.00  0.00           H  
HETATM  120  H   UNL     1       0.469   3.924  -2.129  1.00  0.00           H  
HETATM  121  H   UNL     1       0.789   4.998   0.338  1.00  0.00           H  
HETATM  122  H   UNL     1      -0.665   0.563   3.803  1.00  0.00           H  
HETATM  123  H   UNL     1      -0.442   2.962   4.312  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.167  -0.266   1.538  1.00  0.00           H  
HETATM  125  H   UNL     1       0.285   4.531   2.559  1.00  0.00           H  
HETATM  126  H   UNL     1       0.559   1.303  -0.215  1.00  0.00           H  
HETATM  127  H   UNL     1      -7.757   0.333   2.451  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.653  -0.138   0.738  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.543   2.506   1.868  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.351   3.593   0.527  1.00  0.00           H  
HETATM  131  H   UNL     1     -11.113   2.131  -0.470  1.00  0.00           H  
HETATM  132  H   UNL     1      -9.523   1.815  -1.212  1.00  0.00           H  
HETATM  133  H   UNL     1      -9.657  -0.349  -0.575  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.244  -0.034   0.167  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.385   0.601   2.480  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.903   0.757   3.453  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.774   2.947   2.911  1.00  0.00           H  
HETATM  138  H   UNL     1     -11.259   2.792   1.938  1.00  0.00           H  
HETATM  139  H   UNL     1      -5.513   0.449   0.424  1.00  0.00           H  
HETATM  140  H   UNL     1      -5.036   2.104   0.874  1.00  0.00           H  
CONECT    1    2    2    9                                            
CONECT    2    1    1    3    5                                       
CONECT    3    2    4    4   10                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    7    7                                       
CONECT    6    5   75                                                 
CONECT    7    5    5    8   76                                       
CONECT    8    7    9    9   77                                       
CONECT    9    1    8    8   74                                       
CONECT   10   11   78    3                                            
CONECT   11   10   12   14   79                                       
CONECT   12   11   13   13   17                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   16   80                                       
CONECT   15   14   54                                                 
CONECT   16   14   81   82   83                                       
CONECT   17   18   84   12                                            
CONECT   18   17   19   21   85                                       
CONECT   19   18   20   20   23                                       
CONECT   20   19   19                                                 
CONECT   21   18   22   86   87                                       
CONECT   22   21   88   89   90                                       
CONECT   23   24   29   19                                            
CONECT   24   23   25   27   91                                       
CONECT   25   24   26   26   30                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   92   93                                       
CONECT   28   27   29   94   95                                       
CONECT   29   23   28   96   97                                       
CONECT   30   31   44   25                                            
CONECT   31   30   32   34   98                                       
CONECT   32   31   33   33   45                                       
CONECT   33   32   32                                                 
CONECT   34   31   35  102  103                                       
CONECT   35   34   36   40   40                                       
CONECT   36   35   37   37  104                                       
CONECT   37   36   36   38  106                                       
CONECT   38   37   39   39   41                                       
CONECT   39   38   38   40  107                                       
CONECT   40   35   35   39  105                                       
CONECT   41   38   42   43                                            
CONECT   42   41  108  109  110                                       
CONECT   43   41  111  112  113                                       
CONECT   44   30   99  100  101                                       
CONECT   45   46   53   32                                            
CONECT   46   45   47   49  114                                       
CONECT   47   46   48   48   55                                       
CONECT   48   47   47                                                 
CONECT   49   46   50  117  118                                       
CONECT   50   49   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   53  119   73                                       
CONECT   53   45   52  115  116                                       
CONECT   54   56   56   57   15                                       
CONECT   55  120   57   47                                            
CONECT   56   54   54                                                 
CONECT   57   54   55   58  121                                       
CONECT   58   57   62   63   63                                       
CONECT   59   60  122   61   61                                       
CONECT   60   59  123   62   62                                       
CONECT   61   59   59  124   63                                       
CONECT   62   58   60   60  125                                       
CONECT   63   58   58   61  126                                       
CONECT   64   65   69   70                                            
CONECT   65   64   66  127  128                                       
CONECT   66   65   72   67  129                                       
CONECT   67   66   68   71  130                                       
CONECT   68   67   69  131  132                                       
CONECT   69   64   68  133  134                                       
CONECT   70   64   71  135  136                                       
CONECT   71   70   67  137  138                                       
CONECT   72   66   73                                                 
CONECT   73   72  139  140   52                                       
CONECT   74    9                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
CONECT   80   14                                                      
CONECT   81   16                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   18                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   22                                                      
CONECT   91   24                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   31                                                      
CONECT   99   44                                                      
CONECT  100   44                                                      
CONECT  101   44                                                      
CONECT  102   34                                                      
CONECT  103   34                                                      
CONECT  104   36                                                      
CONECT  105   40                                                      
CONECT  106   37                                                      
CONECT  107   39                                                      
CONECT  108   42                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   43                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   46                                                      
CONECT  115   53                                                      
CONECT  116   53                                                      
CONECT  117   49                                                      
CONECT  118   49                                                      
CONECT  119   52                                                      
CONECT  120   55                                                      
CONECT  121   57                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   61                                                      
CONECT  125   62                                                      
CONECT  126   63                                                      
CONECT  127   65                                                      
CONECT  128   65                                                      
CONECT  129   66                                                      
CONECT  130   67                                                      
CONECT  131   68                                                      
CONECT  132   68                                                      
CONECT  133   69                                                      
CONECT  134   69                                                      
CONECT  135   70                                                      
CONECT  136   70                                                      
CONECT  137   71                                                      
CONECT  138   71                                                      
CONECT  139   73                                                      
CONECT  140   73                                                      
MASTER        0    0    0    0    0    0    0    0  140    0  140    0
END
