COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.409   4.024  -2.153  1.00  0.00           C  
HETATM    2  N   UNL     1      -4.089   1.212  -3.149  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.300   0.845  -1.327  1.00  0.00           O  
HETATM    4  C   UNL     1      -5.543   3.002  -2.254  1.00  0.00           C  
HETATM    5  N   UNL     1       4.162   2.021  -1.582  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.447   0.541  -4.120  1.00  0.00           O  
HETATM    7  C   UNL     1      -4.969   1.609  -2.209  1.00  0.00           C  
HETATM    8  O   UNL     1       1.356   1.025  -3.707  1.00  0.00           O  
HETATM    9  C   UNL     1      -3.531  -0.142  -3.105  1.00  0.00           C  
HETATM   10  O   UNL     1       2.668   0.382  -1.548  1.00  0.00           O  
HETATM   11  C   UNL     1      -2.566  -0.334  -4.277  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.467   3.186  -1.133  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.479   0.440  -5.167  1.00  0.00           C  
HETATM   14  N   UNL     1      -9.898   2.661  -1.125  1.00  0.00           N  
HETATM   15  C   UNL     1       0.668   1.416  -4.897  1.00  0.00           C  
HETATM   16  C   UNL     1       2.451   1.875  -3.363  1.00  0.00           C  
HETATM   17  C   UNL     1       3.101   1.371  -2.099  1.00  0.00           C  
HETATM   18  O   UNL     1      -7.580   4.767  -2.221  1.00  0.00           O  
HETATM   19  C   UNL     1       4.793   1.531  -0.354  1.00  0.00           C  
HETATM   20  O   UNL     1     -12.997  -1.574   2.274  1.00  0.00           O  
HETATM   21  C   UNL     1       5.492   2.672   0.341  1.00  0.00           C  
HETATM   22  O   UNL     1      -9.283   5.380  -0.343  1.00  0.00           O  
HETATM   23  C   UNL     1       5.813   0.445  -0.702  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.456   4.098  -1.217  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.407   4.287  -0.063  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.229   3.012   0.135  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.279   3.246   1.223  1.00  0.00           C  
HETATM   28  C   UNL     1     -11.006   1.956   1.504  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.145   1.636   0.789  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.814   0.455   1.045  1.00  0.00           C  
HETATM   31  C   UNL     1     -12.341  -0.411   2.020  1.00  0.00           C  
HETATM   32  C   UNL     1     -11.198  -0.088   2.736  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.530   1.092   2.473  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.453  -2.417   3.292  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.308  -3.650   3.432  1.00  0.00           C  
HETATM   36  C   UNL     1     -13.029  -4.774   2.676  1.00  0.00           C  
HETATM   37  C   UNL     1     -13.813  -5.905   2.804  1.00  0.00           C  
HETATM   38  C   UNL     1     -14.875  -5.913   3.689  1.00  0.00           C  
HETATM   39  C   UNL     1     -15.153  -4.790   4.445  1.00  0.00           C  
HETATM   40  C   UNL     1     -14.367  -3.661   4.320  1.00  0.00           C  
HETATM   41  N   UNL     1       6.146   2.456   1.499  1.00  0.00           N  
HETATM   42  O   UNL     1       5.465   3.784  -0.142  1.00  0.00           O  
HETATM   43  C   UNL     1       6.825   3.564   2.174  1.00  0.00           C  
HETATM   44  C   UNL     1       5.838   4.307   3.038  1.00  0.00           C  
HETATM   45  O   UNL     1       4.681   3.945   3.085  1.00  0.00           O  
HETATM   46  N   UNL     1       6.241   5.372   3.758  1.00  0.00           N  
HETATM   47  C   UNL     1       7.954   3.014   3.048  1.00  0.00           C  
HETATM   48  C   UNL     1       9.019   2.369   2.159  1.00  0.00           C  
HETATM   49  C   UNL     1      10.148   1.819   3.033  1.00  0.00           C  
HETATM   50  C   UNL     1      11.213   1.174   2.143  1.00  0.00           C  
HETATM   51  N   UNL     1      12.294   0.647   2.980  1.00  0.00           N  
HETATM   52  C   UNL     1      13.349   0.031   2.409  1.00  0.00           C  
HETATM   53  C   UNL     1      14.461  -0.510   3.270  1.00  0.00           C  
HETATM   54  C   UNL     1      15.526  -1.156   2.381  1.00  0.00           C  
HETATM   55  O   UNL     1      13.402  -0.087   1.204  1.00  0.00           O  
HETATM   56  C   UNL     1      16.655  -1.706   3.254  1.00  0.00           C  
HETATM   57  C   UNL     1      17.679  -2.326   2.399  1.00  0.00           C  
HETATM   58  C   UNL     1      18.496  -2.822   1.716  1.00  0.00           C  
HETATM   59  H   UNL     1      -3.721   3.887  -2.987  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.823   5.031  -2.185  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.874   3.881  -1.214  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.824   1.823  -3.854  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.078   3.144  -3.193  1.00  0.00           H  
HETATM   64  H   UNL     1       4.509   2.812  -2.023  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.997  -0.285  -2.167  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.339  -0.870  -3.178  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.078  -0.105  -5.211  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.219  -1.367  -4.296  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.368   2.651  -0.329  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.090  -0.577  -5.205  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.948   0.685  -6.120  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.516   3.400  -1.424  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.225   2.439  -1.842  1.00  0.00           H  
HETATM   74  H   UNL     1       0.267   2.422  -4.770  1.00  0.00           H  
HETATM   75  H   UNL     1       1.361   1.404  -5.738  1.00  0.00           H  
HETATM   76  H   UNL     1       3.182   1.872  -4.172  1.00  0.00           H  
HETATM   77  H   UNL     1       2.088   2.890  -3.205  1.00  0.00           H  
HETATM   78  H   UNL     1       4.031   1.116   0.306  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.820   5.261  -1.138  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.840   4.499   0.844  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.569   2.198   0.435  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.788   3.592   2.132  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.991   3.998   0.885  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.513   2.311   0.030  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.704   0.206   0.486  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.828  -0.761   3.496  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.637   1.342   3.027  1.00  0.00           H  
HETATM   88  H   UNL     1     -11.439  -2.707   3.019  1.00  0.00           H  
HETATM   89  H   UNL     1     -12.436  -1.878   4.239  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.200  -4.767   1.985  1.00  0.00           H  
HETATM   91  H   UNL     1     -13.596  -6.782   2.213  1.00  0.00           H  
HETATM   92  H   UNL     1     -15.487  -6.797   3.789  1.00  0.00           H  
HETATM   93  H   UNL     1     -15.983  -4.797   5.137  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.582  -2.784   4.914  1.00  0.00           H  
HETATM   95  H   UNL     1       6.168   1.566   1.886  1.00  0.00           H  
HETATM   96  H   UNL     1       7.240   4.244   1.430  1.00  0.00           H  
HETATM   97  H   UNL     1       7.166   5.661   3.721  1.00  0.00           H  
HETATM   98  H   UNL     1       5.606   5.850   4.314  1.00  0.00           H  
HETATM   99  H   UNL     1       8.402   3.829   3.618  1.00  0.00           H  
HETATM  100  H   UNL     1       7.553   2.268   3.734  1.00  0.00           H  
HETATM  101  H   UNL     1       8.572   1.555   1.589  1.00  0.00           H  
HETATM  102  H   UNL     1       9.421   3.115   1.473  1.00  0.00           H  
HETATM  103  H   UNL     1      10.596   2.633   3.603  1.00  0.00           H  
HETATM  104  H   UNL     1       9.747   1.073   3.718  1.00  0.00           H  
HETATM  105  H   UNL     1      10.766   0.360   1.573  1.00  0.00           H  
HETATM  106  H   UNL     1      11.615   1.920   1.458  1.00  0.00           H  
HETATM  107  H   UNL     1      12.252   0.742   3.944  1.00  0.00           H  
HETATM  108  H   UNL     1      14.908   0.304   3.840  1.00  0.00           H  
HETATM  109  H   UNL     1      14.059  -1.257   3.956  1.00  0.00           H  
HETATM  110  H   UNL     1      15.078  -1.970   1.810  1.00  0.00           H  
HETATM  111  H   UNL     1      15.927  -0.410   1.695  1.00  0.00           H  
HETATM  112  H   UNL     1      17.103  -0.892   3.825  1.00  0.00           H  
HETATM  113  H   UNL     1      16.253  -2.452   3.940  1.00  0.00           H  
HETATM  114  H   UNL     1      19.227  -3.264   1.106  1.00  0.00           H  
HETATM  115  C   UNL     1       5.098  -0.746  -1.286  1.00  0.00           C  
HETATM  116  C   UNL     1       4.892  -0.825  -2.652  1.00  0.00           C  
HETATM  117  C   UNL     1       4.238  -1.913  -3.192  1.00  0.00           C  
HETATM  118  C   UNL     1       3.784  -2.936  -2.357  1.00  0.00           C  
HETATM  119  C   UNL     1       3.996  -2.850  -0.979  1.00  0.00           C  
HETATM  120  C   UNL     1       4.656  -1.760  -0.453  1.00  0.00           C  
HETATM  121  C   UNL     1       3.083  -4.104  -2.929  1.00  0.00           C  
HETATM  122  C   UNL     1       3.250  -5.439  -2.317  1.00  0.00           C  
HETATM  123  C   UNL     1       2.471  -6.513  -2.752  1.00  0.00           C  
HETATM  124  C   UNL     1       2.632  -7.756  -2.177  1.00  0.00           C  
HETATM  125  C   UNL     1       3.563  -7.940  -1.169  1.00  0.00           C  
HETATM  126  C   UNL     1       4.338  -6.880  -0.732  1.00  0.00           C  
HETATM  127  C   UNL     1       4.192  -5.633  -1.303  1.00  0.00           C  
HETATM  128  O   UNL     1       2.368  -3.968  -3.902  1.00  0.00           O  
HETATM  129  H   UNL     1       6.524   0.835  -1.431  1.00  0.00           H  
HETATM  130  H   UNL     1       6.345   0.144   0.200  1.00  0.00           H  
HETATM  131  H   UNL     1       5.243  -0.033  -3.296  1.00  0.00           H  
HETATM  132  H   UNL     1       4.078  -1.973  -4.258  1.00  0.00           H  
HETATM  133  H   UNL     1       3.647  -3.638  -0.328  1.00  0.00           H  
HETATM  134  H   UNL     1       4.820  -1.692   0.612  1.00  0.00           H  
HETATM  135  H   UNL     1       1.744  -6.371  -3.538  1.00  0.00           H  
HETATM  136  H   UNL     1       2.030  -8.587  -2.512  1.00  0.00           H  
HETATM  137  H   UNL     1       3.684  -8.915  -0.721  1.00  0.00           H  
HETATM  138  H   UNL     1       5.061  -7.030   0.056  1.00  0.00           H  
HETATM  139  H   UNL     1       4.797  -4.806  -0.961  1.00  0.00           H  
CONECT    1    4   59   60   61                                       
CONECT    2    9   62    7                                            
CONECT    3    7    7                                                 
CONECT    4    1   12    7   63                                       
CONECT    5   19   64   17                                            
CONECT    6   11   13                                                 
CONECT    7    4    2    3    3                                       
CONECT    8   16   15                                                 
CONECT    9    2   11   65   66                                       
CONECT   10   17   17                                                 
CONECT   11    6    9   67   68                                       
CONECT   12    4   24   69                                            
CONECT   13    6   15   70   71                                       
CONECT   14   26   72   73                                            
CONECT   15   13    8   74   75                                       
CONECT   16    8   17   76   77                                       
CONECT   17   16    5   10   10                                       
CONECT   18   24   24                                                 
CONECT   19    5   23   21   78                                       
CONECT   20   34   31                                                 
CONECT   21   19   41   42   42                                       
CONECT   22   25   79                                                 
CONECT   23   19  115  129  130                                       
CONECT   24   12   18   18   25                                       
CONECT   25   22   24   26   80                                       
CONECT   26   14   25   27   81                                       
CONECT   27   26   28   82   83                                       
CONECT   28   27   33   33   29                                       
CONECT   29   28   30   30   84                                       
CONECT   30   29   29   31   85                                       
CONECT   31   30   20   32   32                                       
CONECT   32   31   31   86   33                                       
CONECT   33   28   28   32   87                                       
CONECT   34   20   35   88   89                                       
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   90                                       
CONECT   37   36   38   38   91                                       
CONECT   38   37   37   92   39                                       
CONECT   39   38   93   40   40                                       
CONECT   40   35   39   39   94                                       
CONECT   41   21   43   95                                            
CONECT   42   21   21                                                 
CONECT   43   41   44   47   96                                       
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   97   98                                            
CONECT   47   43   48   99  100                                       
CONECT   48   47   49  101  102                                       
CONECT   49   48   50  103  104                                       
CONECT   50   49   51  105  106                                       
CONECT   51   50   52  107                                            
CONECT   52   51   53   55   55                                       
CONECT   53   52   54  108  109                                       
CONECT   54   53   56  110  111                                       
CONECT   55   52   52                                                 
CONECT   56   54   57  112  113                                       
CONECT   57   56   58   58   58                                       
CONECT   58   57   57   57  114                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   11                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   19                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   27                                                      
CONECT   83   27                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   43                                                      
CONECT   97   46                                                      
CONECT   98   46                                                      
CONECT   99   47                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
CONECT  103   49                                                      
CONECT  104   49                                                      
CONECT  105   50                                                      
CONECT  106   50                                                      
CONECT  107   51                                                      
CONECT  108   53                                                      
CONECT  109   53                                                      
CONECT  110   54                                                      
CONECT  111   54                                                      
CONECT  112   56                                                      
CONECT  113   56                                                      
CONECT  114   58                                                      
CONECT  115   23  116  120  120                                       
CONECT  116  115  117  117  131                                       
CONECT  117  116  116  118  132                                       
CONECT  118  117  119  119  121                                       
CONECT  119  118  118  120  133                                       
CONECT  120  119  115  115  134                                       
CONECT  121  118  122  128  128                                       
CONECT  122  121  123  127  127                                       
CONECT  123  122  124  124  135                                       
CONECT  124  123  123  125  136                                       
CONECT  125  124  126  126  137                                       
CONECT  126  125  125  127  138                                       
CONECT  127  126  122  122  139                                       
CONECT  128  121  121                                                 
CONECT  129   23                                                      
CONECT  130   23                                                      
CONECT  131  116                                                      
CONECT  132  117                                                      
CONECT  133  119                                                      
CONECT  134  120                                                      
CONECT  135  123                                                      
CONECT  136  124                                                      
CONECT  137  125                                                      
CONECT  138  126                                                      
CONECT  139  127                                                      
MASTER        0    0    0    0    0    0    0    0  139    0  139    0
END
