COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -6.656  -0.136   0.247  1.00  0.00           P  
HETATM    2  O   UNL     1      -6.858  -0.712   1.737  1.00  0.00           O  
HETATM    3  O   UNL     1      -6.122   1.242   0.319  1.00  0.00           O  
HETATM    4  O   UNL     1      -8.072  -0.124  -0.519  1.00  0.00           O  
HETATM    5  C   UNL     1      -8.906   0.810   0.169  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.275   0.871  -0.513  1.00  0.00           C  
HETATM    7  O   UNL     1     -10.958  -0.383  -0.348  1.00  0.00           O  
HETATM    8  C   UNL     1     -12.366  -0.083  -0.232  1.00  0.00           C  
HETATM    9  N   UNL     1     -13.075  -1.184   0.425  1.00  0.00           N1+
HETATM   10  C   UNL     1     -14.391  -1.441   0.301  1.00  0.00           C  
HETATM   11  N   UNL     1     -15.395  -0.878  -0.379  1.00  0.00           N  
HETATM   12  C   UNL     1     -16.612  -1.372  -0.305  1.00  0.00           C  
HETATM   13  N   UNL     1     -16.905  -2.432   0.425  1.00  0.00           N  
HETATM   14  C   UNL     1     -15.968  -3.061   1.131  1.00  0.00           C  
HETATM   15  N   UNL     1     -16.284  -4.173   1.895  1.00  0.00           N  
HETATM   16  C   UNL     1     -14.660  -2.575   1.085  1.00  0.00           C  
HETATM   17  N   UNL     1     -13.459  -2.938   1.656  1.00  0.00           N  
HETATM   18  C   UNL     1     -12.528  -2.059   1.222  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.393   1.191   0.649  1.00  0.00           C  
HETATM   20  O   UNL     1     -13.582   1.948   0.416  1.00  0.00           O  
HETATM   21  C   UNL     1     -11.142   1.960   0.148  1.00  0.00           C  
HETATM   22  O   UNL     1     -11.516   2.957  -0.804  1.00  0.00           O  
HETATM   23  P   UNL     1     -11.013   4.370  -0.219  1.00  0.00           P  
HETATM   24  O   UNL     1     -11.285   5.528  -1.304  1.00  0.00           O  
HETATM   25  O   UNL     1     -11.815   4.706   1.137  1.00  0.00           O  
HETATM   26  O   UNL     1      -9.564   4.297   0.071  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.620  -1.072  -0.554  1.00  0.00           O  
HETATM   28  P   UNL     1      -4.152  -0.734   0.014  1.00  0.00           P  
HETATM   29  O   UNL     1      -3.925  -1.508   1.408  1.00  0.00           O  
HETATM   30  O   UNL     1      -4.032   0.725   0.235  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.042  -1.209  -1.051  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.776  -0.778  -0.548  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.671  -1.200  -1.518  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.671  -2.723  -1.660  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.921  -0.560  -2.885  1.00  0.00           C  
HETATM   36  C   UNL     1       0.664  -0.745  -0.987  1.00  0.00           C  
HETATM   37  O   UNL     1       0.716  -0.030  -0.016  1.00  0.00           O  
HETATM   38  C   UNL     1       1.935  -1.184  -1.669  1.00  0.00           C  
HETATM   39  O   UNL     1       1.762  -1.120  -3.086  1.00  0.00           O  
HETATM   40  N   UNL     1       3.036  -0.297  -1.270  1.00  0.00           N  
HETATM   41  C   UNL     1       4.244  -1.130  -1.196  1.00  0.00           C  
HETATM   42  C   UNL     1       5.436  -0.265  -0.783  1.00  0.00           C  
HETATM   43  C   UNL     1       6.675  -1.120  -0.708  1.00  0.00           C  
HETATM   44  O   UNL     1       6.610  -2.304  -0.960  1.00  0.00           O  
HETATM   45  N   UNL     1       7.854  -0.567  -0.361  1.00  0.00           N  
HETATM   46  C   UNL     1       9.059  -1.398  -0.287  1.00  0.00           C  
HETATM   47  C   UNL     1      10.251  -0.533   0.126  1.00  0.00           C  
HETATM   48  S   UNL     1      11.739  -1.560   0.216  1.00  0.00           S  
HETATM   49  C   UNL     1      12.920  -0.344   0.698  1.00  0.00           C  
HETATM   50  O   UNL     1      12.573   0.810   0.862  1.00  0.00           O  
HETATM   51  C   UNL     1      14.326  -0.725   0.902  1.00  0.00           C  
HETATM   52  C   UNL     1      15.218   0.192   1.266  1.00  0.00           C  
HETATM   53  C   UNL     1      16.658  -0.199   1.475  1.00  0.00           C  
HETATM   54  C   UNL     1      17.557   0.681   0.604  1.00  0.00           C  
HETATM   55  S   UNL     1      17.441   2.403   1.162  1.00  0.00           S  
HETATM   56  C   UNL     1      18.372   3.226  -0.159  1.00  0.00           C  
HETATM   57  C   UNL     1      18.504   4.694   0.158  1.00  0.00           C  
HETATM   58  O   UNL     1      19.596   5.208   0.195  1.00  0.00           O  
HETATM   59  C   UNL     1      19.006   0.204   0.721  1.00  0.00           C  
HETATM   60  C   UNL     1      19.117  -1.224   0.183  1.00  0.00           C  
HETATM   61  C   UNL     1      20.580  -1.671   0.221  1.00  0.00           C  
HETATM   62  C   UNL     1      20.691  -3.099  -0.316  1.00  0.00           C  
HETATM   63  C   UNL     1      22.154  -3.545  -0.278  1.00  0.00           C  
HETATM   64  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.030   0.493   1.204  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.444   1.797   0.144  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.151   1.089  -1.573  1.00  0.00           H  
HETATM   68  H   UNL     1     -12.797   0.119  -1.213  1.00  0.00           H  
HETATM   69  H   UNL     1     -17.402  -0.891  -0.863  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.592  -4.623   2.405  1.00  0.00           H  
HETATM   71  H   UNL     1     -17.196  -4.502   1.919  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.310  -3.684   2.258  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.483  -2.079   1.495  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.298   0.936   1.705  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.327   1.381   0.661  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.612   2.413   0.986  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.971   6.356  -0.915  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.753   4.745   0.904  1.00  0.00           H  
HETATM   79  H   UNL     1       0.000   0.000   0.000  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.598  -1.234   0.426  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.775   0.307  -0.446  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.493  -3.179  -0.687  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.637  -3.052  -2.044  1.00  0.00           H  
HETATM   84  H   UNL     1       0.116  -3.024  -2.352  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.231  -0.982  -3.616  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.946  -0.758  -3.197  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.764   0.517  -2.817  1.00  0.00           H  
HETATM   88  H   UNL     1       2.169  -2.208  -1.377  1.00  0.00           H  
HETATM   89  H   UNL     1       1.557  -0.200  -3.301  1.00  0.00           H  
HETATM   90  H   UNL     1       2.836   0.008  -0.329  1.00  0.00           H  
HETATM   91  H   UNL     1       4.438  -1.575  -2.172  1.00  0.00           H  
HETATM   92  H   UNL     1       4.096  -1.920  -0.460  1.00  0.00           H  
HETATM   93  H   UNL     1       5.241   0.180   0.193  1.00  0.00           H  
HETATM   94  H   UNL     1       5.584   0.525  -1.519  1.00  0.00           H  
HETATM   95  H   UNL     1       7.906   0.380  -0.159  1.00  0.00           H  
HETATM   96  H   UNL     1       9.253  -1.843  -1.264  1.00  0.00           H  
HETATM   97  H   UNL     1       8.911  -2.189   0.449  1.00  0.00           H  
HETATM   98  H   UNL     1      10.056  -0.089   1.102  1.00  0.00           H  
HETATM   99  H   UNL     1      10.399   0.257  -0.610  1.00  0.00           H  
HETATM  100  H   UNL     1      14.634  -1.750   0.757  1.00  0.00           H  
HETATM  101  H   UNL     1      14.909   1.217   1.411  1.00  0.00           H  
HETATM  102  H   UNL     1      16.795  -1.244   1.198  1.00  0.00           H  
HETATM  103  H   UNL     1      16.923  -0.063   2.524  1.00  0.00           H  
HETATM  104  H   UNL     1      17.235   0.614  -0.435  1.00  0.00           H  
HETATM  105  H   UNL     1      19.364   2.781  -0.236  1.00  0.00           H  
HETATM  106  H   UNL     1      17.844   3.105  -1.105  1.00  0.00           H  
HETATM  107  H   UNL     1      17.621   5.286   0.352  1.00  0.00           H  
HETATM  108  H   UNL     1      19.311   0.223   1.767  1.00  0.00           H  
HETATM  109  H   UNL     1      19.653   0.862   0.141  1.00  0.00           H  
HETATM  110  H   UNL     1      18.754  -1.255  -0.844  1.00  0.00           H  
HETATM  111  H   UNL     1      18.517  -1.893   0.801  1.00  0.00           H  
HETATM  112  H   UNL     1      20.943  -1.640   1.249  1.00  0.00           H  
HETATM  113  H   UNL     1      21.180  -1.002  -0.396  1.00  0.00           H  
HETATM  114  H   UNL     1      20.328  -3.130  -1.344  1.00  0.00           H  
HETATM  115  H   UNL     1      20.091  -3.767   0.301  1.00  0.00           H  
HETATM  116  H   UNL     1      22.754  -2.877  -0.896  1.00  0.00           H  
HETATM  117  H   UNL     1      22.517  -3.514   0.749  1.00  0.00           H  
HETATM  118  H   UNL     1      22.234  -4.563  -0.661  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   27                                                      
CONECT    2    1    1                                                 
CONECT    3    1   64                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   65   66                                       
CONECT    6    5    7   21   67                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   19   68                                       
CONECT    9    8   10   18   18                                       
CONECT   10    9   11   11   16                                       
CONECT   11   10   10   12                                            
CONECT   12   11   13   13   69                                       
CONECT   13   12   12   14                                            
CONECT   14   13   15   16   16                                       
CONECT   15   14   70   71                                            
CONECT   16   10   14   14   17                                       
CONECT   17   16   18   72                                            
CONECT   18    9    9   17   73                                       
CONECT   19    8   20   21   74                                       
CONECT   20   19   75                                                 
CONECT   21    6   19   22   76                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   25   26                                       
CONECT   23   26                                                      
CONECT   24   23   77                                                 
CONECT   25   23   78                                                 
CONECT   26   23   23                                                 
CONECT   27    1   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   79                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   80   81                                       
CONECT   33   32   34   35   36                                       
CONECT   34   33   82   83   84                                       
CONECT   35   33   85   86   87                                       
CONECT   36   33   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   40   88                                       
CONECT   39   38   89                                                 
CONECT   40   38   41   90                                            
CONECT   41   40   42   91   92                                       
CONECT   42   41   43   93   94                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46   95                                            
CONECT   46   45   47   96   97                                       
CONECT   47   46   48   98   99                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52   52  100                                       
CONECT   52   51   51   53  101                                       
CONECT   53   52   54  102  103                                       
CONECT   54   53   55   59  104                                       
CONECT   55   54   56                                                 
CONECT   56   55   57  105  106                                       
CONECT   57   56   58   58  107                                       
CONECT   58   57   57                                                 
CONECT   59   54   60  108  109                                       
CONECT   60   59   61  110  111                                       
CONECT   61   60   62  112  113                                       
CONECT   62   61   63  114  115                                       
CONECT   63   62  116  117  118                                       
CONECT   64    3                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    8                                                      
CONECT   69   12                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   24                                                      
CONECT   78   25                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   34                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   38                                                      
CONECT   89   39                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   45                                                      
CONECT   96   46                                                      
CONECT   97   46                                                      
CONECT   98   47                                                      
CONECT   99   47                                                      
CONECT  100   51                                                      
CONECT  101   52                                                      
CONECT  102   53                                                      
CONECT  103   53                                                      
CONECT  104   54                                                      
CONECT  105   56                                                      
CONECT  106   56                                                      
CONECT  107   57                                                      
CONECT  108   59                                                      
CONECT  109   59                                                      
CONECT  110   60                                                      
CONECT  111   60                                                      
CONECT  112   61                                                      
CONECT  113   61                                                      
CONECT  114   62                                                      
CONECT  115   62                                                      
CONECT  116   63                                                      
CONECT  117   63                                                      
CONECT  118   63                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
