COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1      -0.572  -3.859   1.405  1.00  0.00           P  
HETATM    2  N   UNL     1      -4.360  -2.083   2.769  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.084  -3.106   0.069  1.00  0.00           O  
HETATM    4  O   UNL     1      -1.175  -5.162   1.045  1.00  0.00           O  
HETATM    5  O   UNL     1      -1.665  -2.953   2.164  1.00  0.00           O  
HETATM    6  O   UNL     1       0.690  -4.102   2.375  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.367  -3.391   3.329  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.325  -2.292   3.791  1.00  0.00           C  
HETATM    9  C   UNL     1       0.808  -3.698  -0.878  1.00  0.00           C  
HETATM   10  C   UNL     1       1.063  -2.717  -2.023  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.273  -2.285  -2.631  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.129  -1.748  -1.588  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.686  -1.393  -3.115  1.00  0.00           O  
HETATM   14  C   UNL     1      -2.346  -1.321  -1.958  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.290  -0.751  -0.930  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.598  -0.343  -1.610  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.556   0.235  -0.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.865   0.643  -1.246  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.823   1.221  -0.202  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.132   1.629  -0.882  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.090   2.207   0.162  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.398   2.615  -0.518  1.00  0.00           C  
HETATM   23  C   UNL     1     -12.356   3.194   0.526  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.665   3.602  -0.154  1.00  0.00           C  
HETATM   25  C   UNL     1     -14.623   4.180   0.890  1.00  0.00           C  
HETATM   26  C   UNL     1     -15.931   4.588   0.210  1.00  0.00           C  
HETATM   27  C   UNL     1     -16.889   5.166   1.254  1.00  0.00           C  
HETATM   28  O   UNL     1       1.763  -1.551  -1.514  1.00  0.00           O  
HETATM   29  O   UNL     1       3.675  -2.572  -1.943  1.00  0.00           O  
HETATM   30  C   UNL     1       3.104  -1.593  -1.523  1.00  0.00           C  
HETATM   31  C   UNL     1       3.898  -0.419  -1.011  1.00  0.00           C  
HETATM   32  C   UNL     1       5.393  -0.723  -1.132  1.00  0.00           C  
HETATM   33  C   UNL     1       6.200   0.468  -0.611  1.00  0.00           C  
HETATM   34  C   UNL     1       7.694   0.164  -0.733  1.00  0.00           C  
HETATM   35  C   UNL     1       8.501   1.356  -0.212  1.00  0.00           C  
HETATM   36  C   UNL     1       9.995   1.052  -0.333  1.00  0.00           C  
HETATM   37  C   UNL     1      10.802   2.243   0.187  1.00  0.00           C  
HETATM   38  C   UNL     1      12.297   1.939   0.066  1.00  0.00           C  
HETATM   39  C   UNL     1      13.103   3.131   0.587  1.00  0.00           C  
HETATM   40  C   UNL     1      14.598   2.827   0.465  1.00  0.00           C  
HETATM   41  C   UNL     1      15.404   4.018   0.986  1.00  0.00           C  
HETATM   42  C   UNL     1      16.899   3.714   0.865  1.00  0.00           C  
HETATM   43  C   UNL     1      17.705   4.906   1.385  1.00  0.00           C  
HETATM   44  H   UNL     1      -5.006  -1.361   3.051  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.947  -1.869   1.874  1.00  0.00           H  
HETATM   46  H   UNL     1       1.136  -3.289   2.652  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.933  -4.292   3.094  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.652  -3.608   4.123  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.770  -1.366   3.941  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.795  -2.590   4.728  1.00  0.00           H  
HETATM   51  H   UNL     1       1.752  -3.938  -0.387  1.00  0.00           H  
HETATM   52  H   UNL     1       0.363  -4.611  -1.274  1.00  0.00           H  
HETATM   53  H   UNL     1       1.671  -3.200  -2.788  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.098  -1.519  -3.387  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.758  -3.145  -3.092  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.495  -1.504  -0.169  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.835   0.123  -0.464  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.393   0.409  -2.371  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.054  -1.217  -2.076  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.762  -0.518   0.195  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.101   1.109  -0.100  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.660   1.395  -2.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.320  -0.231  -1.712  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.028   0.468   0.559  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.368   2.095   0.264  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.926   2.382  -1.643  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.587   0.755  -1.348  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.295   1.455   0.923  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.634   3.081   0.628  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.193   3.368  -1.279  1.00  0.00           H  
HETATM   71  H   UNL     1     -11.853   1.741  -0.984  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.561   2.441   1.287  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.901   4.067   0.992  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.460   4.354  -0.915  1.00  0.00           H  
HETATM   75  H   UNL     1     -14.120   2.728  -0.620  1.00  0.00           H  
HETATM   76  H   UNL     1     -14.828   3.427   1.651  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.167   5.054   1.356  1.00  0.00           H  
HETATM   78  H   UNL     1     -15.726   5.340  -0.551  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.386   3.714  -0.256  1.00  0.00           H  
HETATM   80  H   UNL     1     -17.094   4.413   2.015  1.00  0.00           H  
HETATM   81  H   UNL     1     -16.434   6.040   1.720  1.00  0.00           H  
HETATM   82  H   UNL     1     -17.822   5.457   0.770  1.00  0.00           H  
HETATM   83  H   UNL     1       3.659   0.467  -1.599  1.00  0.00           H  
HETATM   84  H   UNL     1       3.648  -0.240   0.035  1.00  0.00           H  
HETATM   85  H   UNL     1       5.633  -1.609  -0.544  1.00  0.00           H  
HETATM   86  H   UNL     1       5.644  -0.903  -2.177  1.00  0.00           H  
HETATM   87  H   UNL     1       5.960   1.354  -1.200  1.00  0.00           H  
HETATM   88  H   UNL     1       5.949   0.648   0.434  1.00  0.00           H  
HETATM   89  H   UNL     1       7.934  -0.721  -0.144  1.00  0.00           H  
HETATM   90  H   UNL     1       7.945  -0.015  -1.778  1.00  0.00           H  
HETATM   91  H   UNL     1       8.261   2.241  -0.800  1.00  0.00           H  
HETATM   92  H   UNL     1       8.250   1.535   0.834  1.00  0.00           H  
HETATM   93  H   UNL     1      10.235   0.166   0.255  1.00  0.00           H  
HETATM   94  H   UNL     1      10.246   0.872  -1.379  1.00  0.00           H  
HETATM   95  H   UNL     1      10.562   3.129  -0.401  1.00  0.00           H  
HETATM   96  H   UNL     1      10.551   2.423   1.233  1.00  0.00           H  
HETATM   97  H   UNL     1      12.536   1.054   0.655  1.00  0.00           H  
HETATM   98  H   UNL     1      12.547   1.760  -0.979  1.00  0.00           H  
HETATM   99  H   UNL     1      12.863   4.017  -0.002  1.00  0.00           H  
HETATM  100  H   UNL     1      12.852   3.310   1.632  1.00  0.00           H  
HETATM  101  H   UNL     1      14.837   1.941   1.054  1.00  0.00           H  
HETATM  102  H   UNL     1      14.848   2.647  -0.580  1.00  0.00           H  
HETATM  103  H   UNL     1      15.165   4.904   0.398  1.00  0.00           H  
HETATM  104  H   UNL     1      15.153   4.198   2.032  1.00  0.00           H  
HETATM  105  H   UNL     1      17.138   2.829   1.453  1.00  0.00           H  
HETATM  106  H   UNL     1      17.149   3.535  -0.181  1.00  0.00           H  
HETATM  107  H   UNL     1      17.466   5.792   0.797  1.00  0.00           H  
HETATM  108  H   UNL     1      17.455   5.085   2.431  1.00  0.00           H  
HETATM  109  H   UNL     1      18.770   4.689   1.299  1.00  0.00           H  
CONECT    1    3    5    4    4                                       
CONECT    1    6                                                      
CONECT    2    8   44   45                                            
CONECT    3    9    1                                                 
CONECT    4    1    1                                                 
CONECT    5    7    1                                                 
CONECT    6    1   46                                                 
CONECT    7    8    5   47   48                                       
CONECT    8    2    7   49   50                                       
CONECT    9   10    3   51   52                                       
CONECT   10   28   11    9   53                                       
CONECT   11   12   10   54   55                                       
CONECT   12   11   14                                                 
CONECT   13   14   14                                                 
CONECT   14   12   15   13   13                                       
CONECT   15   16   14   56   57                                       
CONECT   16   17   15   58   59                                       
CONECT   17   18   16   60   61                                       
CONECT   18   19   17   62   63                                       
CONECT   19   20   18   64   65                                       
CONECT   20   21   19   66   67                                       
CONECT   21   22   20   68   69                                       
CONECT   22   23   21   70   71                                       
CONECT   23   24   22   72   73                                       
CONECT   24   25   23   74   75                                       
CONECT   25   26   24   76   77                                       
CONECT   26   27   25   78   79                                       
CONECT   27   26   80   81   82                                       
CONECT   28   30   10                                                 
CONECT   29   30   30                                                 
CONECT   30   31   29   29   28                                       
CONECT   31   32   30   83   84                                       
CONECT   32   33   31   85   86                                       
CONECT   33   34   32   87   88                                       
CONECT   34   35   33   89   90                                       
CONECT   35   36   34   91   92                                       
CONECT   36   37   35   93   94                                       
CONECT   37   38   36   95   96                                       
CONECT   38   39   37   97   98                                       
CONECT   39   40   38   99  100                                       
CONECT   40   39   41  101  102                                       
CONECT   41   42   40  103  104                                       
CONECT   42   43   41  105  106                                       
CONECT   43   42  107  108  109                                       
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   11                                                      
CONECT   56   15                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   19                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   24                                                      
CONECT   75   24                                                      
CONECT   76   25                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   31                                                      
CONECT   84   31                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   33                                                      
CONECT   88   33                                                      
CONECT   89   34                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   38                                                      
CONECT   98   38                                                      
CONECT   99   39                                                      
CONECT  100   39                                                      
CONECT  101   40                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   43                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
