COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.310   0.927  -3.593  1.00  0.00           C  
HETATM    2  C   UNL     1       1.125   1.895  -3.637  1.00  0.00           C  
HETATM    3  O   UNL     1       0.045   1.374  -2.819  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.076   2.109  -2.750  1.00  0.00           C  
HETATM    5  O   UNL     1      -1.153   3.152  -3.354  1.00  0.00           O  
HETATM    6  C   UNL     1      -2.240   1.632  -1.919  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.382   2.646  -2.012  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.563   2.162  -1.168  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.705   3.176  -1.261  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.887   2.692  -0.418  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.029   3.706  -0.510  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.210   3.223   0.333  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.352   4.237   0.240  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.533   3.753   1.083  1.00  0.00           C  
HETATM   15  C   UNL     1     -12.675   4.767   0.991  1.00  0.00           C  
HETATM   16  C   UNL     1     -13.857   4.283   1.834  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.999   5.297   1.742  1.00  0.00           C  
HETATM   18  C   UNL     1     -16.180   4.813   2.585  1.00  0.00           C  
HETATM   19  C   UNL     1     -17.322   5.827   2.492  1.00  0.00           C  
HETATM   20  C   UNL     1     -18.503   5.343   3.335  1.00  0.00           C  
HETATM   21  C   UNL     1       1.845  -0.468  -4.013  1.00  0.00           C  
HETATM   22  O   UNL     1       0.748  -0.873  -3.190  1.00  0.00           O  
HETATM   23  P   UNL     1       0.007  -2.292  -3.352  1.00  0.00           P  
HETATM   24  O   UNL     1      -0.459  -2.448  -4.748  1.00  0.00           O  
HETATM   25  O   UNL     1       1.034  -3.479  -2.994  1.00  0.00           O  
HETATM   26  O   UNL     1      -1.256  -2.355  -2.355  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.180  -3.445  -2.337  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.252  -3.187  -1.277  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.650  -3.181   0.019  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.310  -4.291  -1.342  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.387  -3.984  -0.419  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.403  -4.860  -0.354  1.00  0.00           C  
HETATM   33  O   UNL     1      -6.391  -5.850  -1.046  1.00  0.00           O  
HETATM   34  C   UNL     1      -7.557  -4.608   0.581  1.00  0.00           C  
HETATM   35  N   UNL     1      -8.719  -5.395   0.148  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.162  -5.019   2.001  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.286  -4.649   2.971  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.891  -5.060   4.390  1.00  0.00           C  
HETATM   39  C   UNL     1      -9.015  -4.690   5.360  1.00  0.00           C  
HETATM   40  N   UNL     1      -8.635  -5.085   6.723  1.00  0.00           N  
HETATM   41  O   UNL     1       2.842   0.875  -2.243  1.00  0.00           O  
HETATM   42  C   UNL     1       4.154   0.622  -2.115  1.00  0.00           C  
HETATM   43  O   UNL     1       4.835   0.450  -3.098  1.00  0.00           O  
HETATM   44  C   UNL     1       4.777   0.552  -0.745  1.00  0.00           C  
HETATM   45  C   UNL     1       6.272   0.253  -0.879  1.00  0.00           C  
HETATM   46  C   UNL     1       6.905   0.182   0.512  1.00  0.00           C  
HETATM   47  C   UNL     1       8.399  -0.117   0.378  1.00  0.00           C  
HETATM   48  C   UNL     1       9.032  -0.188   1.769  1.00  0.00           C  
HETATM   49  C   UNL     1      10.526  -0.487   1.635  1.00  0.00           C  
HETATM   50  C   UNL     1      11.159  -0.558   3.026  1.00  0.00           C  
HETATM   51  C   UNL     1      12.631  -0.853   2.894  1.00  0.00           C  
HETATM   52  C   UNL     1      13.511  -0.057   3.449  1.00  0.00           C  
HETATM   53  C   UNL     1      14.983  -0.352   3.317  1.00  0.00           C  
HETATM   54  C   UNL     1      15.697   0.868   2.730  1.00  0.00           C  
HETATM   55  C   UNL     1      17.191   0.569   2.596  1.00  0.00           C  
HETATM   56  C   UNL     1      17.905   1.788   2.008  1.00  0.00           C  
HETATM   57  C   UNL     1      19.399   1.489   1.874  1.00  0.00           C  
HETATM   58  C   UNL     1      20.113   2.708   1.287  1.00  0.00           C  
HETATM   59  C   UNL     1      21.607   2.409   1.153  1.00  0.00           C  
HETATM   60  C   UNL     1      22.321   3.628   0.566  1.00  0.00           C  
HETATM   61  H   UNL     1       3.086   1.272  -4.277  1.00  0.00           H  
HETATM   62  H   UNL     1       1.435   2.867  -3.254  1.00  0.00           H  
HETATM   63  H   UNL     1       0.782   2.002  -4.666  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.581   0.666  -2.292  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.927   1.531  -0.880  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.041   3.612  -1.639  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.695   2.747  -3.051  1.00  0.00           H  
HETATM   68  H   UNL     1      -4.904   1.196  -1.541  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.251   2.061  -0.129  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.364   4.142  -0.888  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.018   3.278  -2.300  1.00  0.00           H  
HETATM   72  H   UNL     1      -7.227   1.726  -0.791  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.574   2.591   0.621  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.688   4.672  -0.138  1.00  0.00           H  
HETATM   75  H   UNL     1      -8.341   3.808  -1.550  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.551   2.257  -0.040  1.00  0.00           H  
HETATM   77  H   UNL     1      -8.897   3.121   1.372  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.011   5.202   0.613  1.00  0.00           H  
HETATM   79  H   UNL     1     -10.665   4.338  -0.799  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.874   2.787   0.711  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.221   3.651   2.123  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.334   5.733   1.364  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.988   4.868  -0.048  1.00  0.00           H  
HETATM   84  H   UNL     1     -14.198   3.317   1.461  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.544   4.181   2.873  1.00  0.00           H  
HETATM   86  H   UNL     1     -14.658   6.263   2.114  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.311   5.398   0.702  1.00  0.00           H  
HETATM   88  H   UNL     1     -16.521   3.847   2.212  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.867   4.712   3.624  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.981   6.793   2.865  1.00  0.00           H  
HETATM   91  H   UNL     1     -17.635   5.928   1.453  1.00  0.00           H  
HETATM   92  H   UNL     1     -18.844   4.377   2.963  1.00  0.00           H  
HETATM   93  H   UNL     1     -18.191   5.242   4.375  1.00  0.00           H  
HETATM   94  H   UNL     1     -19.317   6.065   3.270  1.00  0.00           H  
HETATM   95  H   UNL     1       1.528  -0.448  -5.056  1.00  0.00           H  
HETATM   96  H   UNL     1       2.666  -1.175  -3.897  1.00  0.00           H  
HETATM   97  H   UNL     1       1.380  -3.440  -2.092  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.651  -3.539  -3.316  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.649  -4.367  -2.100  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.723  -2.222  -1.464  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.211  -4.010   0.253  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.706  -4.355  -2.355  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.857  -5.244  -1.069  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.811  -3.548   0.567  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.509  -6.382   0.153  1.00  0.00           H  
HETATM  106  H   UNL     1      -9.525  -5.195   0.721  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.994  -6.096   2.034  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.248  -4.500   2.289  1.00  0.00           H  
HETATM  109  H   UNL     1      -8.454  -3.572   2.938  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.200  -5.168   2.683  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.723  -6.137   4.423  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.977  -4.541   4.678  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.183  -3.613   5.327  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.929  -5.209   5.072  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.756  -4.667   6.990  1.00  0.00           H  
HETATM  116  H   UNL     1      -9.362  -4.851   7.383  1.00  0.00           H  
HETATM  117  H   UNL     1       4.642   1.506  -0.235  1.00  0.00           H  
HETATM  118  H   UNL     1       4.299  -0.239  -0.168  1.00  0.00           H  
HETATM  119  H   UNL     1       6.407  -0.701  -1.388  1.00  0.00           H  
HETATM  120  H   UNL     1       6.750   1.044  -1.456  1.00  0.00           H  
HETATM  121  H   UNL     1       6.769   1.136   1.022  1.00  0.00           H  
HETATM  122  H   UNL     1       6.426  -0.609   1.089  1.00  0.00           H  
HETATM  123  H   UNL     1       8.534  -1.071  -0.132  1.00  0.00           H  
HETATM  124  H   UNL     1       8.878   0.674  -0.199  1.00  0.00           H  
HETATM  125  H   UNL     1       8.897   0.766   2.279  1.00  0.00           H  
HETATM  126  H   UNL     1       8.553  -0.979   2.346  1.00  0.00           H  
HETATM  127  H   UNL     1      10.661  -1.441   1.125  1.00  0.00           H  
HETATM  128  H   UNL     1      11.005   0.304   1.058  1.00  0.00           H  
HETATM  129  H   UNL     1      11.024   0.396   3.536  1.00  0.00           H  
HETATM  130  H   UNL     1      10.681  -1.349   3.603  1.00  0.00           H  
HETATM  131  H   UNL     1      12.961  -1.720   2.342  1.00  0.00           H  
HETATM  132  H   UNL     1      13.182   0.811   4.002  1.00  0.00           H  
HETATM  133  H   UNL     1      15.398  -0.577   4.299  1.00  0.00           H  
HETATM  134  H   UNL     1      15.124  -1.208   2.658  1.00  0.00           H  
HETATM  135  H   UNL     1      15.282   1.094   1.747  1.00  0.00           H  
HETATM  136  H   UNL     1      15.555   1.724   3.389  1.00  0.00           H  
HETATM  137  H   UNL     1      17.606   0.343   3.578  1.00  0.00           H  
HETATM  138  H   UNL     1      17.332  -0.288   1.936  1.00  0.00           H  
HETATM  139  H   UNL     1      17.490   2.014   1.026  1.00  0.00           H  
HETATM  140  H   UNL     1      17.763   2.644   2.668  1.00  0.00           H  
HETATM  141  H   UNL     1      19.814   1.263   2.857  1.00  0.00           H  
HETATM  142  H   UNL     1      19.698   2.934   0.305  1.00  0.00           H  
HETATM  143  H   UNL     1      22.022   2.183   2.135  1.00  0.00           H  
HETATM  144  H   UNL     1      21.748   1.553   0.493  1.00  0.00           H  
HETATM  145  H   UNL     1      21.906   3.854  -0.417  1.00  0.00           H  
HETATM  146  H   UNL     1      22.179   4.484   1.225  1.00  0.00           H  
HETATM  147  H   UNL     1      23.385   3.415   0.470  1.00  0.00           H  
HETATM  148  H   UNL     1      19.540   0.632   1.215  1.00  0.00           H  
HETATM  149  H   UNL     1      19.971   3.564   1.947  1.00  0.00           H  
CONECT    1   21   41    2   61                                       
CONECT    2    3    1   62   63                                       
CONECT    3    4    2                                                 
CONECT    4    5    5    3    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   64   65                                       
CONECT    7    6    8   66   67                                       
CONECT    8    7    9   68   69                                       
CONECT    9   10    8   70   71                                       
CONECT   10    9   11   72   73                                       
CONECT   11   10   12   74   75                                       
CONECT   12   11   13   76   77                                       
CONECT   13   14   12   78   79                                       
CONECT   14   15   13   80   81                                       
CONECT   15   16   14   82   83                                       
CONECT   16   17   15   84   85                                       
CONECT   17   18   16   86   87                                       
CONECT   18   19   17   88   89                                       
CONECT   19   20   18   90   91                                       
CONECT   20   19   92   93   94                                       
CONECT   21   22    1   95   96                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   22   25                                       
CONECT   23   26                                                      
CONECT   24   23   23                                                 
CONECT   25   23   97                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28   98   99                                       
CONECT   28   29   27   30  100                                       
CONECT   29   28  101                                                 
CONECT   30   28   31  102  103                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   33   34                                       
CONECT   33   32   32                                                 
CONECT   34   32   36   35  104                                       
CONECT   35   34  105  106                                            
CONECT   36   34   37  107  108                                       
CONECT   37   36   38  109  110                                       
CONECT   38   39   37  111  112                                       
CONECT   39   40   38  113  114                                       
CONECT   40   39  115  116                                            
CONECT   41    1   42                                                 
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45  117  118                                       
CONECT   45   44   46  119  120                                       
CONECT   46   45   47  121  122                                       
CONECT   47   46   48  123  124                                       
CONECT   48   47   49  125  126                                       
CONECT   49   48   50  127  128                                       
CONECT   50   49   51  129  130                                       
CONECT   51   50   52   52  131                                       
CONECT   52   51   51   53  132                                       
CONECT   53   52   54  133  134                                       
CONECT   54   53   55  135  136                                       
CONECT   55   54   56  137  138                                       
CONECT   56   55   57  139  140                                       
CONECT   57   56   58  141  148                                       
CONECT   58   57   59  142  149                                       
CONECT   59   58   60  143  144                                       
CONECT   60   59  145  146  147                                       
CONECT   61    1                                                      
CONECT   62    2                                                      
CONECT   63    2                                                      
CONECT   64    6                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    7                                                      
CONECT   68    8                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   10                                                      
CONECT   74   11                                                      
CONECT   75   11                                                      
CONECT   76   12                                                      
CONECT   77   12                                                      
CONECT   78   13                                                      
CONECT   79   13                                                      
CONECT   80   14                                                      
CONECT   81   14                                                      
CONECT   82   15                                                      
CONECT   83   15                                                      
CONECT   84   16                                                      
CONECT   85   16                                                      
CONECT   86   17                                                      
CONECT   87   17                                                      
CONECT   88   18                                                      
CONECT   89   18                                                      
CONECT   90   19                                                      
CONECT   91   19                                                      
CONECT   92   20                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   21                                                      
CONECT   96   21                                                      
CONECT   97   25                                                      
CONECT   98   27                                                      
CONECT   99   27                                                      
CONECT  100   28                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   37                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   39                                                      
CONECT  114   39                                                      
CONECT  115   40                                                      
CONECT  116   40                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   45                                                      
CONECT  121   46                                                      
CONECT  122   46                                                      
CONECT  123   47                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   48                                                      
CONECT  127   49                                                      
CONECT  128   49                                                      
CONECT  129   50                                                      
CONECT  130   50                                                      
CONECT  131   51                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   53                                                      
CONECT  135   54                                                      
CONECT  136   54                                                      
CONECT  137   55                                                      
CONECT  138   55                                                      
CONECT  139   56                                                      
CONECT  140   56                                                      
CONECT  141   57                                                      
CONECT  142   58                                                      
CONECT  143   59                                                      
CONECT  144   59                                                      
CONECT  145   60                                                      
CONECT  146   60                                                      
CONECT  147   60                                                      
CONECT  148   57                                                      
CONECT  149   58                                                      
MASTER        0    0    0    0    0    0    0    0  149    0  149    0
END
