COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.979  -2.018  -2.178  1.00  0.00           O  
HETATM    2  C   UNL     1       0.234  -3.120  -2.762  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.047  -4.172  -1.687  1.00  0.00           C  
HETATM    4  O   UNL     1      -0.889  -3.610  -0.679  1.00  0.00           O  
HETATM    5  P   UNL     1      -1.292  -4.397   0.666  1.00  0.00           P  
HETATM    6  O   UNL     1      -2.347  -3.519   1.507  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.974  -3.989   2.702  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.005  -2.962   3.175  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.566  -3.389   4.464  1.00  0.00           N1+
HETATM   10  C   UNL     1      -5.106  -4.749   4.335  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.511  -3.375   5.486  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.642  -2.470   4.858  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.904  -5.698   0.312  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.090  -2.599  -3.324  1.00  0.00           C  
HETATM   15  O   UNL     1      -1.908  -2.086  -2.239  1.00  0.00           O  
HETATM   16  C   UNL     1      -3.148  -1.677  -2.552  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.569  -1.830  -3.674  1.00  0.00           O  
HETATM   18  C   UNL     1      -4.014  -1.028  -1.503  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.314  -0.542  -2.145  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.194   0.117  -1.081  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.494   0.604  -1.723  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.374   1.263  -0.658  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.674   1.749  -1.301  1.00  0.00           C  
HETATM   24  C   UNL     1     -10.554   2.408  -0.236  1.00  0.00           C  
HETATM   25  C   UNL     1     -11.854   2.894  -0.878  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.733   3.553   0.186  1.00  0.00           C  
HETATM   27  C   UNL     1     -14.034   4.040  -0.456  1.00  0.00           C  
HETATM   28  C   UNL     1     -14.913   4.699   0.609  1.00  0.00           C  
HETATM   29  C   UNL     1     -16.214   5.185  -0.034  1.00  0.00           C  
HETATM   30  C   UNL     1     -17.093   5.844   1.031  1.00  0.00           C  
HETATM   31  C   UNL     1     -18.394   6.331   0.389  1.00  0.00           C  
HETATM   32  C   UNL     1     -19.273   6.990   1.454  1.00  0.00           C  
HETATM   33  O   UNL     1       0.026  -4.649   1.556  1.00  0.00           O  
HETATM   34  H   UNL     1       0.819  -3.568  -3.565  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.544  -5.030  -2.139  1.00  0.00           H  
HETATM   36  H   UNL     1       0.893  -4.492  -1.238  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.472  -4.938   2.502  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.220  -4.130   3.476  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.523  -1.991   3.293  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.805  -2.884   2.438  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.622  -5.024   5.256  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.807  -4.785   3.501  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.290  -5.449   4.155  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.928  -3.692   6.442  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.713  -4.057   5.193  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.111  -2.366   5.581  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.242  -1.461   4.953  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.425  -2.481   4.099  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.059  -2.787   5.814  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.892  -1.800  -4.039  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.617  -3.412  -3.824  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.243  -1.753  -0.722  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.484  -0.181  -1.068  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.085   0.183  -2.927  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.844  -1.389  -2.580  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.423  -0.608  -0.300  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.664   0.965  -0.646  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.265   1.328  -2.504  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.024  -0.244  -2.158  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.603   0.538   0.123  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.844   2.110  -0.223  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.445   2.474  -2.082  1.00  0.00           H  
HETATM   63  H   UNL     1     -10.204   0.901  -1.736  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.783   1.683   0.545  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.024   3.256   0.199  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.625   3.619  -1.659  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.384   2.047  -1.313  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.963   2.829   0.968  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.204   4.401   0.621  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.805   4.765  -1.237  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.564   3.192  -0.891  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.143   3.974   1.390  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.384   5.546   1.044  1.00  0.00           H  
HETATM   74  H   UNL     1     -15.985   5.910  -0.815  1.00  0.00           H  
HETATM   75  H   UNL     1     -16.744   4.338  -0.468  1.00  0.00           H  
HETATM   76  H   UNL     1     -17.323   5.119   1.812  1.00  0.00           H  
HETATM   77  H   UNL     1     -16.564   6.692   1.466  1.00  0.00           H  
HETATM   78  H   UNL     1     -18.164   7.055  -0.392  1.00  0.00           H  
HETATM   79  H   UNL     1     -18.924   5.483  -0.046  1.00  0.00           H  
HETATM   80  H   UNL     1     -18.744   7.837   1.889  1.00  0.00           H  
HETATM   81  H   UNL     1     -20.200   7.336   0.996  1.00  0.00           H  
HETATM   82  H   UNL     1     -19.503   6.265   2.235  1.00  0.00           H  
HETATM   83  H   UNL     1       0.480  -3.838   1.825  1.00  0.00           H  
HETATM   84  C   UNL     1       2.318  -2.107  -2.204  1.00  0.00           C  
HETATM   85  C   UNL     1       3.157  -1.001  -1.617  1.00  0.00           C  
HETATM   86  C   UNL     1       4.639  -1.348  -1.775  1.00  0.00           C  
HETATM   87  C   UNL     1       5.491  -0.225  -1.179  1.00  0.00           C  
HETATM   88  C   UNL     1       6.973  -0.572  -1.336  1.00  0.00           C  
HETATM   89  C   UNL     1       7.826   0.550  -0.740  1.00  0.00           C  
HETATM   90  C   UNL     1       9.308   0.204  -0.898  1.00  0.00           C  
HETATM   91  C   UNL     1      10.160   1.326  -0.302  1.00  0.00           C  
HETATM   92  C   UNL     1      11.642   0.980  -0.460  1.00  0.00           C  
HETATM   93  C   UNL     1      12.494   2.102   0.137  1.00  0.00           C  
HETATM   94  C   UNL     1      13.976   1.756  -0.021  1.00  0.00           C  
HETATM   95  C   UNL     1      14.828   2.878   0.575  1.00  0.00           C  
HETATM   96  C   UNL     1      16.310   2.532   0.417  1.00  0.00           C  
HETATM   97  C   UNL     1      17.162   3.654   1.013  1.00  0.00           C  
HETATM   98  C   UNL     1      18.644   3.307   0.855  1.00  0.00           C  
HETATM   99  C   UNL     1      19.497   4.430   1.452  1.00  0.00           C  
HETATM  100  C   UNL     1      20.978   4.083   1.294  1.00  0.00           C  
HETATM  101  C   UNL     1      21.831   5.206   1.890  1.00  0.00           C  
HETATM  102  O   UNL     1       2.850  -3.072  -2.698  1.00  0.00           O  
HETATM  103  H   UNL     1       2.945  -0.068  -2.138  1.00  0.00           H  
HETATM  104  H   UNL     1       2.921  -0.889  -0.559  1.00  0.00           H  
HETATM  105  H   UNL     1       4.852  -2.281  -1.253  1.00  0.00           H  
HETATM  106  H   UNL     1       4.875  -1.460  -2.833  1.00  0.00           H  
HETATM  107  H   UNL     1       5.279   0.708  -1.700  1.00  0.00           H  
HETATM  108  H   UNL     1       5.255  -0.113  -0.120  1.00  0.00           H  
HETATM  109  H   UNL     1       7.186  -1.505  -0.815  1.00  0.00           H  
HETATM  110  H   UNL     1       7.210  -0.684  -2.394  1.00  0.00           H  
HETATM  111  H   UNL     1       7.613   1.484  -1.261  1.00  0.00           H  
HETATM  112  H   UNL     1       7.589   0.663   0.318  1.00  0.00           H  
HETATM  113  H   UNL     1       9.520  -0.729  -0.377  1.00  0.00           H  
HETATM  114  H   UNL     1       9.544   0.091  -1.956  1.00  0.00           H  
HETATM  115  H   UNL     1       9.947   2.260  -0.823  1.00  0.00           H  
HETATM  116  H   UNL     1       9.924   1.439   0.756  1.00  0.00           H  
HETATM  117  H   UNL     1      11.854   0.046   0.062  1.00  0.00           H  
HETATM  118  H   UNL     1      11.878   0.867  -1.518  1.00  0.00           H  
HETATM  119  H   UNL     1      12.281   3.036  -0.384  1.00  0.00           H  
HETATM  120  H   UNL     1      12.258   2.215   1.195  1.00  0.00           H  
HETATM  121  H   UNL     1      14.188   0.822   0.500  1.00  0.00           H  
HETATM  122  H   UNL     1      14.212   1.643  -1.079  1.00  0.00           H  
HETATM  123  H   UNL     1      14.616   3.811   0.054  1.00  0.00           H  
HETATM  124  H   UNL     1      14.592   2.991   1.633  1.00  0.00           H  
HETATM  125  H   UNL     1      16.522   1.598   0.938  1.00  0.00           H  
HETATM  126  H   UNL     1      16.546   2.419  -0.641  1.00  0.00           H  
HETATM  127  H   UNL     1      16.950   4.587   0.492  1.00  0.00           H  
HETATM  128  H   UNL     1      16.926   3.766   2.071  1.00  0.00           H  
HETATM  129  H   UNL     1      18.857   2.374   1.377  1.00  0.00           H  
HETATM  130  H   UNL     1      18.880   3.195  -0.203  1.00  0.00           H  
HETATM  131  H   UNL     1      19.284   5.363   0.930  1.00  0.00           H  
HETATM  132  H   UNL     1      19.260   4.542   2.510  1.00  0.00           H  
HETATM  133  H   UNL     1      21.191   3.150   1.815  1.00  0.00           H  
HETATM  134  H   UNL     1      21.215   3.971   0.236  1.00  0.00           H  
HETATM  135  H   UNL     1      22.886   4.959   1.778  1.00  0.00           H  
HETATM  136  H   UNL     1      21.618   6.139   1.369  1.00  0.00           H  
HETATM  137  H   UNL     1      21.594   5.318   2.948  1.00  0.00           H  
CONECT    1    2   84                                                 
CONECT    2    1   14    3   34                                       
CONECT    3    2    4   35   36                                       
CONECT    4    3    5                                                 
CONECT    5    4   13   13   33                                       
CONECT    5    6                                                      
CONECT    6    5    7                                                 
CONECT    7    6    8   37   38                                       
CONECT    8    7    9   39   40                                       
CONECT    9   10   11   12    8                                       
CONECT   10    9   41   42   43                                       
CONECT   11    9   44   45   46                                       
CONECT   12    9   47   48   49                                       
CONECT   13    5    5                                                 
CONECT   14   15    2   50   51                                       
CONECT   15   16   14                                                 
CONECT   16   18   15   17   17                                       
CONECT   17   16   16                                                 
CONECT   18   19   16   52   53                                       
CONECT   19   20   18   54   55                                       
CONECT   20   21   19   56   57                                       
CONECT   21   22   20   58   59                                       
CONECT   22   23   21   60   61                                       
CONECT   23   24   22   62   63                                       
CONECT   24   25   23   64   65                                       
CONECT   25   26   24   66   67                                       
CONECT   26   27   25   68   69                                       
CONECT   27   26   28   70   71                                       
CONECT   28   29   27   72   73                                       
CONECT   29   30   28   74   75                                       
CONECT   30   29   31   76   77                                       
CONECT   31   30   32   78   79                                       
CONECT   32   31   80   81   82                                       
CONECT   33    5   83                                                 
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   23                                                      
CONECT   64   24                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84    1   85  102  102                                       
CONECT   85   84   86  103  104                                       
CONECT   86   85   87  105  106                                       
CONECT   87   86   88  107  108                                       
CONECT   88   87   89  109  110                                       
CONECT   89   88   90  111  112                                       
CONECT   90   89   91  113  114                                       
CONECT   91   90   92  115  116                                       
CONECT   92   91   93  117  118                                       
CONECT   93   92   94  119  120                                       
CONECT   94   93   95  121  122                                       
CONECT   95   94   96  123  124                                       
CONECT   96   95   97  125  126                                       
CONECT   97   96   98  127  128                                       
CONECT   98   97   99  129  130                                       
CONECT   99   98  100  131  132                                       
CONECT  100   99  101  133  134                                       
CONECT  101  100  135  136  137                                       
CONECT  102   84   84                                                 
CONECT  103   85                                                      
CONECT  104   85                                                      
CONECT  105   86                                                      
CONECT  106   86                                                      
CONECT  107   87                                                      
CONECT  108   87                                                      
CONECT  109   88                                                      
CONECT  110   88                                                      
CONECT  111   89                                                      
CONECT  112   89                                                      
CONECT  113   90                                                      
CONECT  114   90                                                      
CONECT  115   91                                                      
CONECT  116   91                                                      
CONECT  117   92                                                      
CONECT  118   92                                                      
CONECT  119   93                                                      
CONECT  120   93                                                      
CONECT  121   94                                                      
CONECT  122   94                                                      
CONECT  123   95                                                      
CONECT  124   95                                                      
CONECT  125   96                                                      
CONECT  126   96                                                      
CONECT  127   97                                                      
CONECT  128   97                                                      
CONECT  129   98                                                      
CONECT  130   98                                                      
CONECT  131   99                                                      
CONECT  132   99                                                      
CONECT  133  100                                                      
CONECT  134  100                                                      
CONECT  135  101                                                      
CONECT  136  101                                                      
CONECT  137  101                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
