COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.887  -3.810  -4.309  1.00  0.00           C  
HETATM    2  C   UNL     1      11.766  -2.885  -3.831  1.00  0.00           C  
HETATM    3  C   UNL     1      10.601  -2.171  -1.862  1.00  0.00           C  
HETATM    4  C   UNL     1      10.979  -1.774  -0.433  1.00  0.00           C  
HETATM    5  C   UNL     1       9.880  -0.888   0.157  1.00  0.00           C  
HETATM    6  C   UNL     1       8.558  -1.658   0.175  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.426   1.486  -3.689  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.146   0.457  -4.029  1.00  0.00           O  
HETATM    9  O   UNL     1      -5.426  -0.228  -1.964  1.00  0.00           O  
HETATM   10  C   UNL     1       7.949  -1.386   4.338  1.00  0.00           C  
HETATM   11  C   UNL     1       6.844  -0.575   6.339  1.00  0.00           C  
HETATM   12  C   UNL     1       6.145   0.139   4.094  1.00  0.00           C  
HETATM   13  C   UNL     1       4.454   1.647   2.477  1.00  0.00           C  
HETATM   14  C   UNL     1       4.321   1.678   3.868  1.00  0.00           C  
HETATM   15  C   UNL     1       2.537   3.264   2.067  1.00  0.00           C  
HETATM   16  C   UNL     1       3.562   2.526   0.221  1.00  0.00           C  
HETATM   17  C   UNL     1       0.833   4.759   0.997  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.108   5.344  -0.122  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.746   5.089  -1.489  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.176  -2.381  -1.161  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.919  -2.940   0.257  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.013  -3.961  -0.906  1.00  0.00           C  
HETATM   23  P   UNL     1      -5.073   0.961  -2.991  1.00  0.00           P  
HETATM   24  C   UNL     1      -5.958  -1.486  -2.383  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.647  -3.777  -1.611  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.724  -4.779  -1.182  1.00  0.00           O  
HETATM   27  O   UNL     1      -8.154  -5.292  -0.405  1.00  0.00           O  
HETATM   28  N   UNL     1      -9.256  -2.528   0.691  1.00  0.00           N  
HETATM   29  C   UNL     1     -10.018  -3.133   1.659  1.00  0.00           C  
HETATM   30  N   UNL     1      -9.856  -4.180   2.462  1.00  0.00           N  
HETATM   31  C   UNL     1     -10.799  -4.523   3.313  1.00  0.00           C  
HETATM   32  N   UNL     1     -11.938  -3.861   3.416  1.00  0.00           N  
HETATM   33  C   UNL     1     -12.188  -2.801   2.655  1.00  0.00           C  
HETATM   34  N   UNL     1     -13.384  -2.114   2.769  1.00  0.00           N  
HETATM   35  C   UNL     1     -11.211  -2.395   1.730  1.00  0.00           C  
HETATM   36  N   UNL     1     -11.118  -1.397   0.818  1.00  0.00           N  
HETATM   37  C   UNL     1      -9.969  -1.470   0.211  1.00  0.00           C  
HETATM   38  O   UNL     1      -7.209  -1.828  -0.329  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.377   2.172  -2.191  1.00  0.00           O  
HETATM   40  P   UNL     1      -3.535   3.470  -2.637  1.00  0.00           P  
HETATM   41  O   UNL     1      -2.621   3.108  -3.743  1.00  0.00           O  
HETATM   42  O   UNL     1      -4.546   4.621  -3.132  1.00  0.00           O  
HETATM   43  O   UNL     1      -2.678   4.010  -1.386  1.00  0.00           O  
HETATM   44  O   UNL     1      -0.283   4.227   0.251  1.00  0.00           O  
HETATM   45  C   UNL     1      -0.196   6.584  -0.192  1.00  0.00           C  
HETATM   46  O   UNL     1      -0.646   7.588   0.720  1.00  0.00           O  
HETATM   47  C   UNL     1       1.197   6.055   0.228  1.00  0.00           C  
HETATM   48  O   UNL     1       1.858   6.987   1.086  1.00  0.00           O  
HETATM   49  N   UNL     1       1.957   3.819   0.983  1.00  0.00           N  
HETATM   50  N   UNL     1       2.615   3.342  -0.157  1.00  0.00           N  
HETATM   51  C   UNL     1       3.546   2.457   1.627  1.00  0.00           C  
HETATM   52  C   UNL     1       5.157   0.933   4.668  1.00  0.00           C  
HETATM   53  N   UNL     1       6.992  -0.616   4.882  1.00  0.00           N  
HETATM   54  O   UNL     1       8.671  -2.040   5.071  1.00  0.00           O  
HETATM   55  C   UNL     1       8.136  -1.464   2.951  1.00  0.00           C  
HETATM   56  C   UNL     1       5.435   0.860   1.889  1.00  0.00           C  
HETATM   57  C   UNL     1       6.284   0.102   2.695  1.00  0.00           C  
HETATM   58  C   UNL     1       7.334  -0.744   2.107  1.00  0.00           C  
HETATM   59  N   UNL     1       7.506  -0.810   0.741  1.00  0.00           N  
HETATM   60  C   UNL     1       8.180  -2.055  -1.253  1.00  0.00           C  
HETATM   61  C   UNL     1       9.279  -2.941  -1.844  1.00  0.00           C  
HETATM   62  O   UNL     1      11.627  -2.999  -2.413  1.00  0.00           O  
HETATM   63  O   UNL     1      12.515  -5.170  -4.074  1.00  0.00           O  
HETATM   64  C   UNL     1      13.499  -6.121  -4.487  1.00  0.00           C  
HETATM   65  H   UNL     1      13.052  -3.658  -5.376  1.00  0.00           H  
HETATM   66  H   UNL     1      13.802  -3.584  -3.763  1.00  0.00           H  
HETATM   67  H   UNL     1      12.009  -1.855  -4.091  1.00  0.00           H  
HETATM   68  H   UNL     1      10.830  -3.170  -4.312  1.00  0.00           H  
HETATM   69  H   UNL     1      10.490  -1.274  -2.471  1.00  0.00           H  
HETATM   70  H   UNL     1      11.089  -2.671   0.176  1.00  0.00           H  
HETATM   71  H   UNL     1      11.920  -1.225  -0.446  1.00  0.00           H  
HETATM   72  H   UNL     1      10.149  -0.605   1.175  1.00  0.00           H  
HETATM   73  H   UNL     1       9.770   0.009  -0.452  1.00  0.00           H  
HETATM   74  H   UNL     1       8.668  -2.555   0.785  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.081   1.831  -3.067  1.00  0.00           H  
HETATM   76  H   UNL     1       7.589  -1.225   6.798  1.00  0.00           H  
HETATM   77  H   UNL     1       6.988   0.447   6.691  1.00  0.00           H  
HETATM   78  H   UNL     1       5.846  -0.916   6.613  1.00  0.00           H  
HETATM   79  H   UNL     1       3.556   2.293   4.319  1.00  0.00           H  
HETATM   80  H   UNL     1       2.258   3.432   3.096  1.00  0.00           H  
HETATM   81  H   UNL     1       4.240   1.995  -0.432  1.00  0.00           H  
HETATM   82  H   UNL     1       0.537   4.989   2.020  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.885   5.497   0.627  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.266   5.988  -1.821  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.970   4.831  -2.210  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.249  -2.465  -0.594  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.357  -3.357   1.092  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.835  -3.711  -1.577  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.909  -1.328  -2.892  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.257  -1.968  -3.065  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.770  -3.808  -2.694  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.000  -5.683  -1.388  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.217  -5.967  -1.095  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.637  -5.379   3.952  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.050  -2.404   3.411  1.00  0.00           H  
HETATM   96  H   UNL     1     -13.555  -1.342   2.208  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.632  -0.794  -0.561  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.176   4.908  -2.457  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.166   6.978  -1.208  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.108   8.391   0.717  1.00  0.00           H  
HETATM  101  H   UNL     1       1.808   5.831  -0.646  1.00  0.00           H  
HETATM  102  H   UNL     1       2.106   7.815   0.650  1.00  0.00           H  
HETATM  103  H   UNL     1       5.047   0.965   5.742  1.00  0.00           H  
HETATM  104  H   UNL     1       8.915  -2.094   2.548  1.00  0.00           H  
HETATM  105  H   UNL     1       5.539   0.834   0.814  1.00  0.00           H  
HETATM  106  H   UNL     1       6.931  -0.294   0.154  1.00  0.00           H  
HETATM  107  H   UNL     1       7.238  -2.604  -1.240  1.00  0.00           H  
HETATM  108  H   UNL     1       8.070  -1.158  -1.862  1.00  0.00           H  
HETATM  109  H   UNL     1       9.009  -3.224  -2.861  1.00  0.00           H  
HETATM  110  H   UNL     1       9.389  -3.838  -1.234  1.00  0.00           H  
HETATM  111  H   UNL     1      13.677  -6.017  -5.557  1.00  0.00           H  
HETATM  112  H   UNL     1      14.427  -5.942  -3.945  1.00  0.00           H  
HETATM  113  H   UNL     1      13.142  -7.128  -4.274  1.00  0.00           H  
CONECT    1    2   63   65   66                                       
CONECT    2   62    1   67   68                                       
CONECT    3   61    4   62   69                                       
CONECT    4    5    3   70   71                                       
CONECT    5    6    4   72   73                                       
CONECT    6   59   60    5   74                                       
CONECT    7   23   75                                                 
CONECT    8   23   23                                                 
CONECT    9   24   23                                                 
CONECT   10   54   54   53   55                                       
CONECT   11   53   76   77   78                                       
CONECT   12   53   52   52   57                                       
CONECT   13   14   14   56   51                                       
CONECT   14   52   13   13   79                                       
CONECT   15   51   51   49   80                                       
CONECT   16   51   50   50   81                                       
CONECT   17   49   47   44   82                                       
CONECT   18   19   44   45   83                                       
CONECT   19   43   18   84   85                                       
CONECT   20   25   38   24   86                                       
CONECT   21   22   38   28   87                                       
CONECT   22   27   25   21   88                                       
CONECT   23    9    8    8    7                                       
CONECT   23   39                                                      
CONECT   24   20    9   89   90                                       
CONECT   25   26   22   20   91                                       
CONECT   26   25   92                                                 
CONECT   27   22   93                                                 
CONECT   28   21   29   37                                            
CONECT   29   30   28   35   35                                       
CONECT   30   31   31   29                                            
CONECT   31   30   30   32   94                                       
CONECT   32   31   33   33                                            
CONECT   33   32   32   35   34                                       
CONECT   34   33   95   96                                            
CONECT   35   29   29   33   36                                       
CONECT   36   35   37   37                                            
CONECT   37   28   36   36   97                                       
CONECT   38   21   20                                                 
CONECT   39   23   40                                                 
CONECT   40   39   42   43   41                                       
CONECT   40   41                                                      
CONECT   41   40   40                                                 
CONECT   42   40   98                                                 
CONECT   43   19   40                                                 
CONECT   44   17   18                                                 
CONECT   45   47   18   46   99                                       
CONECT   46   45  100                                                 
CONECT   47   17   45   48  101                                       
CONECT   48   47  102                                                 
CONECT   49   50   15   17                                            
CONECT   50   16   16   49                                            
CONECT   51   13   16   15   15                                       
CONECT   52   12   12   14  103                                       
CONECT   53   11   10   12                                            
CONECT   54   10   10                                                 
CONECT   55   10   58   58  104                                       
CONECT   56   57   57   13  105                                       
CONECT   57   12   58   56   56                                       
CONECT   58   55   55   57   59                                       
CONECT   59   58    6  106                                            
CONECT   60    6   61  107  108                                       
CONECT   61   60    3  109  110                                       
CONECT   62    3    2                                                 
CONECT   63    1   64                                                 
CONECT   64   63  111  112  113                                       
CONECT   65    1                                                      
CONECT   66    1                                                      
CONECT   67    2                                                      
CONECT   68    2                                                      
CONECT   69    3                                                      
CONECT   70    4                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   11                                                      
CONECT   79   14                                                      
CONECT   80   15                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   19                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   22                                                      
CONECT   89   24                                                      
CONECT   90   24                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   31                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   37                                                      
CONECT   98   42                                                      
CONECT   99   45                                                      
CONECT  100   46                                                      
CONECT  101   47                                                      
CONECT  102   48                                                      
CONECT  103   52                                                      
CONECT  104   55                                                      
CONECT  105   56                                                      
CONECT  106   59                                                      
CONECT  107   60                                                      
CONECT  108   60                                                      
CONECT  109   61                                                      
CONECT  110   61                                                      
CONECT  111   64                                                      
CONECT  112   64                                                      
CONECT  113   64                                                      
MASTER        0    0    0    0    0    0    0    0  113    0  113    0
END
