COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.205   3.681  -0.465  1.00  0.00           C  
HETATM    2  C   UNL     1      17.870   3.450  -1.176  1.00  0.00           C  
HETATM    3  C   UNL     1      16.814   3.026  -0.152  1.00  0.00           C  
HETATM    4  C   UNL     1      15.479   2.795  -0.863  1.00  0.00           C  
HETATM    5  C   UNL     1      14.424   2.372   0.161  1.00  0.00           C  
HETATM    6  C   UNL     1      13.088   2.141  -0.549  1.00  0.00           C  
HETATM    7  C   UNL     1      12.033   1.717   0.474  1.00  0.00           C  
HETATM    8  C   UNL     1      10.698   1.486  -0.236  1.00  0.00           C  
HETATM    9  C   UNL     1       9.642   1.063   0.787  1.00  0.00           C  
HETATM   10  C   UNL     1       8.307   0.831   0.077  1.00  0.00           C  
HETATM   11  C   UNL     1       7.251   0.408   1.100  1.00  0.00           C  
HETATM   12  C   UNL     1       5.916   0.177   0.390  1.00  0.00           C  
HETATM   13  C   UNL     1       4.860  -0.247   1.413  1.00  0.00           C  
HETATM   14  C   UNL     1       3.525  -0.478   0.703  1.00  0.00           C  
HETATM   15  C   UNL     1       2.470  -0.901   1.726  1.00  0.00           C  
HETATM   16  C   UNL     1       1.134  -1.133   1.016  1.00  0.00           C  
HETATM   17  C   UNL     1       0.095  -1.550   2.024  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.109  -2.204   2.651  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.477  -2.455   2.011  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.333  -3.479   0.884  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.416  -3.427  -3.515  1.00  0.00           C  
HETATM   22  C   UNL     1       0.555  -2.383  -4.070  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.327  -1.064   1.444  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.936   0.201   0.897  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.461   0.110   0.980  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.080   1.395   0.425  1.00  0.00           C  
HETATM   27  C   UNL     1      -9.605   1.304   0.509  1.00  0.00           C  
HETATM   28  C   UNL     1     -10.223   2.589  -0.047  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.748   2.499   0.037  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.366   3.783  -0.518  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.892   3.693  -0.434  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.510   4.977  -0.990  1.00  0.00           C  
HETATM   33  C   UNL     1     -16.035   4.887  -0.906  1.00  0.00           C  
HETATM   34  C   UNL     1     -16.653   6.172  -1.461  1.00  0.00           C  
HETATM   35  N   UNL     1       1.748  -2.320  -3.214  1.00  0.00           N  
HETATM   36  O   UNL     1       0.391  -1.651   3.191  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.161  -1.808   1.625  1.00  0.00           O  
HETATM   38  O   UNL     1      -2.343  -3.031  -0.044  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.246  -5.253  -0.920  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.141  -4.144  -2.164  1.00  0.00           O  
HETATM   41  O   UNL     1      -0.890  -3.005  -2.235  1.00  0.00           O  
HETATM   42  O   UNL     1      -3.993  -1.210   1.471  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.040  -1.948   1.858  1.00  0.00           O  
HETATM   44  P   UNL     1      -1.932  -3.864  -1.359  1.00  0.00           P  
HETATM   45  H   UNL     1      19.957   3.983  -1.194  1.00  0.00           H  
HETATM   46  H   UNL     1      19.088   4.466   0.282  1.00  0.00           H  
HETATM   47  H   UNL     1      19.521   2.759   0.023  1.00  0.00           H  
HETATM   48  H   UNL     1      17.554   4.372  -1.663  1.00  0.00           H  
HETATM   49  H   UNL     1      17.987   2.665  -1.923  1.00  0.00           H  
HETATM   50  H   UNL     1      17.131   2.105   0.336  1.00  0.00           H  
HETATM   51  H   UNL     1      16.697   3.812   0.595  1.00  0.00           H  
HETATM   52  H   UNL     1      15.163   3.717  -1.350  1.00  0.00           H  
HETATM   53  H   UNL     1      15.596   2.010  -1.610  1.00  0.00           H  
HETATM   54  H   UNL     1      14.740   1.450   0.649  1.00  0.00           H  
HETATM   55  H   UNL     1      14.306   3.157   0.908  1.00  0.00           H  
HETATM   56  H   UNL     1      12.772   3.062  -1.038  1.00  0.00           H  
HETATM   57  H   UNL     1      13.205   1.356  -1.297  1.00  0.00           H  
HETATM   58  H   UNL     1      12.349   0.795   0.962  1.00  0.00           H  
HETATM   59  H   UNL     1      11.916   2.502   1.221  1.00  0.00           H  
HETATM   60  H   UNL     1      10.381   2.408  -0.725  1.00  0.00           H  
HETATM   61  H   UNL     1      10.815   0.701  -0.984  1.00  0.00           H  
HETATM   62  H   UNL     1       9.958   0.141   1.275  1.00  0.00           H  
HETATM   63  H   UNL     1       9.525   1.847   1.534  1.00  0.00           H  
HETATM   64  H   UNL     1       7.990   1.753  -0.411  1.00  0.00           H  
HETATM   65  H   UNL     1       8.424   0.046  -0.670  1.00  0.00           H  
HETATM   66  H   UNL     1       7.568  -0.514   1.588  1.00  0.00           H  
HETATM   67  H   UNL     1       7.134   1.193   1.847  1.00  0.00           H  
HETATM   68  H   UNL     1       5.600   1.099  -0.098  1.00  0.00           H  
HETATM   69  H   UNL     1       6.033  -0.608  -0.357  1.00  0.00           H  
HETATM   70  H   UNL     1       5.177  -1.169   1.901  1.00  0.00           H  
HETATM   71  H   UNL     1       4.743   0.538   2.160  1.00  0.00           H  
HETATM   72  H   UNL     1       3.209   0.444   0.215  1.00  0.00           H  
HETATM   73  H   UNL     1       3.642  -1.263  -0.045  1.00  0.00           H  
HETATM   74  H   UNL     1       2.786  -1.823   2.214  1.00  0.00           H  
HETATM   75  H   UNL     1       2.352  -0.116   2.473  1.00  0.00           H  
HETATM   76  H   UNL     1       0.818  -0.211   0.528  1.00  0.00           H  
HETATM   77  H   UNL     1       1.252  -1.918   0.269  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.195  -1.411   3.393  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.762  -3.118   3.134  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.165  -2.837   2.764  1.00  0.00           H  
HETATM   81  H   UNL     1      -3.030  -4.439   1.302  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.288  -3.592   0.371  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.259  -3.537  -4.197  1.00  0.00           H  
HETATM   84  H   UNL     1       0.097  -4.383  -3.415  1.00  0.00           H  
HETATM   85  H   UNL     1       0.848  -2.660  -5.082  1.00  0.00           H  
HETATM   86  H   UNL     1       0.068  -1.407  -4.087  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.590   1.053   1.482  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.636   0.328  -0.144  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.807  -0.742   0.396  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.761  -0.017   2.021  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.734   2.247   1.010  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.780   1.522  -0.615  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.951   0.452  -0.076  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.905   1.177   1.549  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.877   3.441   0.538  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.923   2.716  -1.087  1.00  0.00           H  
HETATM   97  H   UNL     1     -12.094   1.646  -0.548  1.00  0.00           H  
HETATM   98  H   UNL     1     -12.048   2.371   1.077  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.020   4.635   0.067  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.067   3.911  -1.558  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.238   2.841  -1.019  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.191   3.565   0.606  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.164   5.830  -0.405  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.210   5.105  -2.030  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.381   4.035  -1.491  1.00  0.00           H  
HETATM  106  H   UNL     1     -16.335   4.760   0.134  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.740   6.107  -1.401  1.00  0.00           H  
HETATM  108  H   UNL     1     -16.307   7.024  -0.876  1.00  0.00           H  
HETATM  109  H   UNL     1     -16.353   6.299  -2.501  1.00  0.00           H  
HETATM  110  H   UNL     1       2.405  -1.637  -3.560  1.00  0.00           H  
HETATM  111  H   UNL     1       1.496  -2.128  -2.256  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.445  -5.146  -0.388  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    3    1   48   49                                       
CONECT    3    4    2   50   51                                       
CONECT    4    5    3   52   53                                       
CONECT    5    6    4   54   55                                       
CONECT    6    7    5   56   57                                       
CONECT    7    8    6   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   12   10   66   67                                       
CONECT   12   13   11   68   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   15   13   72   73                                       
CONECT   15   14   16   74   75                                       
CONECT   16   15   17   76   77                                       
CONECT   17   36   36   16   37                                       
CONECT   18   19   37   78   79                                       
CONECT   19   20   18   42   80                                       
CONECT   20   38   19   81   82                                       
CONECT   21   41   22   83   84                                       
CONECT   22   35   21   85   86                                       
CONECT   23   43   43   24   42                                       
CONECT   24   25   23   87   88                                       
CONECT   25   26   24   89   90                                       
CONECT   26   27   25   91   92                                       
CONECT   27   28   26   93   94                                       
CONECT   28   29   27   95   96                                       
CONECT   29   30   28   97   98                                       
CONECT   30   29   31   99  100                                       
CONECT   31   30   32  101  102                                       
CONECT   32   33   31  103  104                                       
CONECT   33   34   32  105  106                                       
CONECT   34   33  107  108  109                                       
CONECT   35   22  110  111                                            
CONECT   36   17   17                                                 
CONECT   37   17   18                                                 
CONECT   38   44   20                                                 
CONECT   39   44  112                                                 
CONECT   40   44   44                                                 
CONECT   41   44   21                                                 
CONECT   42   23   19                                                 
CONECT   43   23   23                                                 
CONECT   44   40   40   38   39                                       
CONECT   44   41                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
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   18                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   22                                                      
CONECT   86   22                                                      
CONECT   87   24                                                      
CONECT   88   24                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   26                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   27                                                      
CONECT   95   28                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   30                                                      
CONECT  101   31                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   34                                                      
CONECT  108   34                                                      
CONECT  109   34                                                      
CONECT  110   35                                                      
CONECT  111   35                                                      
CONECT  112   39                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
