COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.290   4.024  -4.373  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.484   2.663  -4.440  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.728   3.999  -4.182  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.495   1.734  -4.286  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.983   4.405  -3.768  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.750   2.140  -3.872  1.00  0.00           C  
HETATM    7  N   UNL     1      -4.904   2.940  -2.215  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.994   3.476  -3.613  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.362   3.918  -3.161  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.052   2.817   1.970  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.334   0.363   4.394  1.00  0.00           C  
HETATM   12  O   UNL     1      -6.214   4.470  -1.280  1.00  0.00           O  
HETATM   13  O   UNL     1      -6.440  -2.130   1.267  1.00  0.00           O  
HETATM   14  O   UNL     1      -9.224   3.015   4.667  1.00  0.00           O  
HETATM   15  O   UNL     1      -7.120   1.829   4.134  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.935   1.009  -0.389  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.334   2.721   0.582  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.410   0.479   1.447  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.829   3.318  -1.311  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.988  -1.322   0.480  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.376   2.330  -0.355  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.453   0.082   0.513  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.847   1.796   1.479  1.00  0.00           C  
HETATM   24  N   UNL     1      -8.805   2.190   2.416  1.00  0.00           N  
HETATM   25  S   UNL     1      -8.532   1.949   4.031  1.00  0.00           S  
HETATM   26  N   UNL     1      -5.064  -1.704  -0.423  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.603  -3.095  -0.456  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.564  -3.931  -1.304  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.915  -3.973  -0.637  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.862  -3.009  -0.930  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.210  -4.980   0.263  1.00  0.00           C  
HETATM   32  C   UNL     1      -9.101  -3.048  -0.319  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.449  -5.019   0.875  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.394  -4.052   0.586  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.202  -3.154  -1.066  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.239  -2.633  -2.397  1.00  0.00           O  
HETATM   37  C   UNL     1      -2.241  -2.318  -0.218  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.838  -2.475  -0.747  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.628  -3.185  -1.708  1.00  0.00           O  
HETATM   40  N   UNL     1       0.183  -1.826  -0.153  1.00  0.00           N  
HETATM   41  C   UNL     1       1.546  -1.978  -0.667  1.00  0.00           C  
HETATM   42  C   UNL     1       2.533  -1.706   0.438  1.00  0.00           C  
HETATM   43  O   UNL     1       2.137  -1.413   1.547  1.00  0.00           O  
HETATM   44  C   UNL     1       1.774  -0.986  -1.810  1.00  0.00           C  
HETATM   45  C   UNL     1       0.857  -1.340  -2.982  1.00  0.00           C  
HETATM   46  C   UNL     1       0.993  -0.277  -4.075  1.00  0.00           C  
HETATM   47  C   UNL     1       1.254  -2.705  -3.547  1.00  0.00           C  
HETATM   48  N   UNL     1       3.856  -1.787   0.196  1.00  0.00           N  
HETATM   49  C   UNL     1       4.816  -1.523   1.270  1.00  0.00           C  
HETATM   50  C   UNL     1       6.126  -1.074   0.675  1.00  0.00           C  
HETATM   51  O   UNL     1       6.246  -0.985  -0.528  1.00  0.00           O  
HETATM   52  C   UNL     1       5.036  -2.800   2.084  1.00  0.00           C  
HETATM   53  N   UNL     1       7.164  -0.773   1.480  1.00  0.00           N  
HETATM   54  C   UNL     1       8.438  -0.338   0.902  1.00  0.00           C  
HETATM   55  C   UNL     1       8.772   1.043   1.405  1.00  0.00           C  
HETATM   56  O   UNL     1       8.225   1.475   2.397  1.00  0.00           O  
HETATM   57  C   UNL     1       9.544  -1.312   1.312  1.00  0.00           C  
HETATM   58  C   UNL     1       9.266  -2.667   0.715  1.00  0.00           C  
HETATM   59  C   UNL     1       9.766  -2.988  -0.533  1.00  0.00           C  
HETATM   60  C   UNL     1       8.517  -3.592   1.419  1.00  0.00           C  
HETATM   61  C   UNL     1       9.511  -4.232  -1.081  1.00  0.00           C  
HETATM   62  C   UNL     1       8.263  -4.836   0.871  1.00  0.00           C  
HETATM   63  C   UNL     1       8.758  -5.155  -0.379  1.00  0.00           C  
HETATM   64  C   UNL     1       7.019  -0.882   2.934  1.00  0.00           C  
HETATM   65  C   UNL     1       8.097   6.254   1.630  1.00  0.00           C  
HETATM   66  O   UNL     1       7.904   3.731   0.962  1.00  0.00           O  
HETATM   67  C   UNL     1      11.660   2.251  -0.516  1.00  0.00           C  
HETATM   68  C   UNL     1      11.206   3.581   0.142  1.00  0.00           C  
HETATM   69  C   UNL     1      10.342   1.438  -0.515  1.00  0.00           C  
HETATM   70  O   UNL     1       9.246   5.367   1.598  1.00  0.00           O  
HETATM   71  C   UNL     1       9.023   4.093   1.239  1.00  0.00           C  
HETATM   72  C   UNL     1      10.167   3.115   1.183  1.00  0.00           C  
HETATM   73  N   UNL     1       9.678   1.797   0.752  1.00  0.00           N  
HETATM   74  H   UNL     1      -4.886   4.752  -5.077  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.365   3.051  -4.859  1.00  0.00           H  
HETATM   76  H   UNL     1      -6.279   4.344  -4.046  1.00  0.00           H  
HETATM   77  H   UNL     1       0.495   2.347  -4.767  1.00  0.00           H  
HETATM   78  H   UNL     1       0.063   4.726  -4.301  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.305   0.690  -4.488  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.173   5.449  -3.566  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.540   1.413  -3.751  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.596   2.020  -2.239  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.287   4.891  -2.675  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.804   2.047   1.796  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.407   3.506   2.737  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.872   3.365   1.045  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.398   0.434   4.168  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.884  -0.420   3.784  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.202   0.122   5.449  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.197   0.703  -1.116  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.676   3.745   0.609  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.812  -0.240   2.146  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.703  -1.059  -1.051  1.00  0.00           H  
HETATM   94  H   UNL     1      -4.575  -3.492   0.559  1.00  0.00           H  
HETATM   95  H   UNL     1      -5.661  -3.481  -2.292  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.175  -4.944  -1.402  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.633  -2.225  -1.637  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.472  -5.736   0.489  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.840  -2.295  -0.547  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.679  -5.806   1.578  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.361  -4.082   1.064  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.859  -4.188  -1.091  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.536  -1.714  -2.451  1.00  0.00           H  
HETATM  104  H   UNL     1      -2.532  -1.269  -0.266  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.279  -2.659   0.816  1.00  0.00           H  
HETATM  106  H   UNL     1       0.014  -1.258   0.615  1.00  0.00           H  
HETATM  107  H   UNL     1       1.684  -2.994  -1.036  1.00  0.00           H  
HETATM  108  H   UNL     1       1.549   0.023  -1.465  1.00  0.00           H  
HETATM  109  H   UNL     1       2.813  -1.037  -2.133  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.176  -1.376  -2.638  1.00  0.00           H  
HETATM  111  H   UNL     1       2.027  -0.241  -4.420  1.00  0.00           H  
HETATM  112  H   UNL     1       0.340  -0.529  -4.910  1.00  0.00           H  
HETATM  113  H   UNL     1       0.710   0.696  -3.673  1.00  0.00           H  
HETATM  114  H   UNL     1       1.157  -3.462  -2.768  1.00  0.00           H  
HETATM  115  H   UNL     1       0.601  -2.957  -4.382  1.00  0.00           H  
HETATM  116  H   UNL     1       2.288  -2.669  -3.891  1.00  0.00           H  
HETATM  117  H   UNL     1       4.173  -2.021  -0.691  1.00  0.00           H  
HETATM  118  H   UNL     1       4.426  -0.740   1.921  1.00  0.00           H  
HETATM  119  H   UNL     1       5.426  -3.582   1.433  1.00  0.00           H  
HETATM  120  H   UNL     1       5.750  -2.603   2.884  1.00  0.00           H  
HETATM  121  H   UNL     1       4.088  -3.124   2.514  1.00  0.00           H  
HETATM  122  H   UNL     1       8.355  -0.319  -0.185  1.00  0.00           H  
HETATM  123  H   UNL     1      10.504  -0.945   0.950  1.00  0.00           H  
HETATM  124  H   UNL     1       9.572  -1.392   2.399  1.00  0.00           H  
HETATM  125  H   UNL     1      10.354  -2.267  -1.081  1.00  0.00           H  
HETATM  126  H   UNL     1       8.131  -3.343   2.396  1.00  0.00           H  
HETATM  127  H   UNL     1       9.901  -4.482  -2.056  1.00  0.00           H  
HETATM  128  H   UNL     1       7.678  -5.558   1.421  1.00  0.00           H  
HETATM  129  H   UNL     1       8.559  -6.126  -0.807  1.00  0.00           H  
HETATM  130  H   UNL     1       7.298  -1.885   3.253  1.00  0.00           H  
HETATM  131  H   UNL     1       7.668  -0.152   3.419  1.00  0.00           H  
HETATM  132  H   UNL     1       5.983  -0.687   3.211  1.00  0.00           H  
HETATM  133  H   UNL     1       8.416   7.251   1.934  1.00  0.00           H  
HETATM  134  H   UNL     1       7.648   6.304   0.638  1.00  0.00           H  
HETATM  135  H   UNL     1       7.364   5.874   2.342  1.00  0.00           H  
HETATM  136  H   UNL     1      12.015   2.420  -1.533  1.00  0.00           H  
HETATM  137  H   UNL     1      12.424   1.758   0.086  1.00  0.00           H  
HETATM  138  H   UNL     1      12.046   4.076   0.631  1.00  0.00           H  
HETATM  139  H   UNL     1      10.745   4.239  -0.595  1.00  0.00           H  
HETATM  140  H   UNL     1       9.720   1.723  -1.363  1.00  0.00           H  
HETATM  141  H   UNL     1      10.555   0.370  -0.542  1.00  0.00           H  
HETATM  142  H   UNL     1      10.635   3.035   2.165  1.00  0.00           H  
CONECT    1    9   74   75   76                                       
CONECT    2    3    3    4   77                                       
CONECT    3    2    2    5   78                                       
CONECT    4    2    6    6   79                                       
CONECT    5    3    8    8   80                                       
CONECT    6    4    4    8   81                                       
CONECT    7    9   82   19                                            
CONECT    8    5    5    6    9                                       
CONECT    9    1    7    8   83                                       
CONECT   10   24   84   85   86                                       
CONECT   11   25   87   88   89                                       
CONECT   12   19   19                                                 
CONECT   13   20   20                                                 
CONECT   14   25   25                                                 
CONECT   15   25   25                                                 
CONECT   16   21   21   22   90                                       
CONECT   17   21   23   23   91                                       
CONECT   18   22   22   23   92                                       
CONECT   19   12   12   21    7                                       
CONECT   20   13   13   22   26                                       
CONECT   21   16   16   17   19                                       
CONECT   22   16   18   18   20                                       
CONECT   23   17   17   18   24                                       
CONECT   24   10   23   25                                            
CONECT   25   11   14   14   15                                       
CONECT   25   15   24                                                 
CONECT   26   27   93   20                                            
CONECT   27   26   28   35   94                                       
CONECT   28   27   29   95   96                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   32   97                                       
CONECT   31   29   33   33   98                                       
CONECT   32   30   34   34   99                                       
CONECT   33   31   31   34  100                                       
CONECT   34   32   32   33  101                                       
CONECT   35   27   36   37  102                                       
CONECT   36   35  103                                                 
CONECT   37   35   38  104  105                                       
CONECT   38   37   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40   41  106   38                                            
CONECT   41   40   42   44  107                                       
CONECT   42   41   43   43   48                                       
CONECT   43   42   42                                                 
CONECT   44   41   45  108  109                                       
CONECT   45   44   46   47  110                                       
CONECT   46   45  111  112  113                                       
CONECT   47   45  114  115  116                                       
CONECT   48   49  117   42                                            
CONECT   49   48   50   52  118                                       
CONECT   50   49   51   51   53                                       
CONECT   51   50   50                                                 
CONECT   52   49  119  120  121                                       
CONECT   53   54   64   50                                            
CONECT   54   53   55   57  122                                       
CONECT   55   54   56   56   73                                       
CONECT   56   55   55                                                 
CONECT   57   54   58  123  124                                       
CONECT   58   57   59   59   60                                       
CONECT   59   58   58   61  125                                       
CONECT   60   58   62   62  126                                       
CONECT   61   59   63   63  127                                       
CONECT   62   60   60   63  128                                       
CONECT   63   61   61   62  129                                       
CONECT   64   53  130  131  132                                       
CONECT   65   70  133  134  135                                       
CONECT   66   71   71                                                 
CONECT   67   68   69  136  137                                       
CONECT   68   67   72  138  139                                       
CONECT   69   67   73  140  141                                       
CONECT   70   65   71                                                 
CONECT   71   66   66   70   72                                       
CONECT   72   68   71   73  142                                       
CONECT   73   69   72   55                                            
CONECT   74    1                                                      
CONECT   75    1                                                      
CONECT   76    1                                                      
CONECT   77    2                                                      
CONECT   78    3                                                      
CONECT   79    4                                                      
CONECT   80    5                                                      
CONECT   81    6                                                      
CONECT   82    7                                                      
CONECT   83    9                                                      
CONECT   84   10                                                      
CONECT   85   10                                                      
CONECT   86   10                                                      
CONECT   87   11                                                      
CONECT   88   11                                                      
CONECT   89   11                                                      
CONECT   90   16                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   26                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   30                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   35                                                      
CONECT  103   36                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   40                                                      
CONECT  107   41                                                      
CONECT  108   44                                                      
CONECT  109   44                                                      
CONECT  110   45                                                      
CONECT  111   46                                                      
CONECT  112   46                                                      
CONECT  113   46                                                      
CONECT  114   47                                                      
CONECT  115   47                                                      
CONECT  116   47                                                      
CONECT  117   48                                                      
CONECT  118   49                                                      
CONECT  119   52                                                      
CONECT  120   52                                                      
CONECT  121   52                                                      
CONECT  122   54                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
CONECT  125   59                                                      
CONECT  126   60                                                      
CONECT  127   61                                                      
CONECT  128   62                                                      
CONECT  129   63                                                      
CONECT  130   64                                                      
CONECT  131   64                                                      
CONECT  132   64                                                      
CONECT  133   65                                                      
CONECT  134   65                                                      
CONECT  135   65                                                      
CONECT  136   67                                                      
CONECT  137   67                                                      
CONECT  138   68                                                      
CONECT  139   68                                                      
CONECT  140   69                                                      
CONECT  141   69                                                      
CONECT  142   72                                                      
MASTER        0    0    0    0    0    0    0    0  142    0  142    0
END
