COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -19.929  -3.325  -1.174  1.00  0.00           O  
HETATM    2  C   UNL     1     -18.802  -2.887  -1.072  1.00  0.00           C  
HETATM    3  C   UNL     1     -18.534  -1.428  -0.754  1.00  0.00           C  
HETATM    4  C   UNL     1     -17.618  -3.740  -1.242  1.00  0.00           C  
HETATM    5  C   UNL     1     -16.473  -3.381  -0.666  1.00  0.00           C  
HETATM    6  C   UNL     1     -16.318  -2.164   0.192  1.00  0.00           C  
HETATM    7  C   UNL     1     -17.580  -1.383   0.439  1.00  0.00           C  
HETATM    8  C   UNL     1     -15.835  -2.668   1.553  1.00  0.00           C  
HETATM    9  C   UNL     1     -15.202  -1.281  -0.369  1.00  0.00           C  
HETATM   10  C   UNL     1     -14.989  -0.083   0.550  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.788   0.767   0.104  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.576  -0.144   0.083  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.413  -0.819   1.446  1.00  0.00           C  
HETATM   14  C   UNL     1     -11.256   0.491  -0.341  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.467   0.946   0.888  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.225   2.075   1.590  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.486  -0.627  -1.089  1.00  0.00           C  
HETATM   18  C   UNL     1     -11.438  -1.852  -1.145  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.826  -1.215  -1.012  1.00  0.00           C  
HETATM   20  C   UNL     1     -13.920  -2.123  -0.482  1.00  0.00           C  
HETATM   21  C   UNL     1     -14.139  -3.277  -1.461  1.00  0.00           C  
HETATM   22  C   UNL     1     -15.233  -4.222  -0.919  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.804   1.432  -0.714  1.00  0.00           O  
HETATM   24  C   UNL     1      -9.110   1.442   0.460  1.00  0.00           C  
HETATM   25  S   UNL     1      -8.001   2.019   1.629  1.00  0.00           S  
HETATM   26  C   UNL     1      -6.611   2.455   0.555  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.466   3.011   1.404  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.340   3.364   0.535  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.213   3.876   1.067  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.130   4.045   2.265  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.056   4.240   0.173  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.910   4.795   1.022  1.00  0.00           C  
HETATM   33  N   UNL     1       0.215   5.148   0.153  1.00  0.00           N  
HETATM   34  C   UNL     1       1.342   5.661   0.684  1.00  0.00           C  
HETATM   35  O   UNL     1       1.394   5.911   1.870  1.00  0.00           O  
HETATM   36  C   UNL     1       2.539   5.922  -0.194  1.00  0.00           C  
HETATM   37  O   UNL     1       2.185   5.696  -1.560  1.00  0.00           O  
HETATM   38  C   UNL     1       3.677   4.979   0.201  1.00  0.00           C  
HETATM   39  C   UNL     1       4.150   5.316   1.617  1.00  0.00           C  
HETATM   40  C   UNL     1       3.179   3.533   0.160  1.00  0.00           C  
HETATM   41  C   UNL     1       4.841   5.146  -0.779  1.00  0.00           C  
HETATM   42  O   UNL     1       5.904   4.265  -0.410  1.00  0.00           O  
HETATM   43  P   UNL     1       7.290   4.175  -1.224  1.00  0.00           P  
HETATM   44  O   UNL     1       8.076   5.575  -1.101  1.00  0.00           O  
HETATM   45  O   UNL     1       7.008   3.891  -2.648  1.00  0.00           O  
HETATM   46  O   UNL     1       8.197   2.995  -0.610  1.00  0.00           O  
HETATM   47  P   UNL     1       9.501   2.204  -1.125  1.00  0.00           P  
HETATM   48  O   UNL     1      10.812   3.099  -0.859  1.00  0.00           O  
HETATM   49  O   UNL     1       9.374   1.934  -2.575  1.00  0.00           O  
HETATM   50  O   UNL     1       9.632   0.810  -0.329  1.00  0.00           O  
HETATM   51  C   UNL     1      10.629  -0.168  -0.632  1.00  0.00           C  
HETATM   52  C   UNL     1      10.472  -1.365   0.308  1.00  0.00           C  
HETATM   53  C   UNL     1      11.615  -2.379   0.084  1.00  0.00           C  
HETATM   54  O   UNL     1      12.639  -2.204   1.066  1.00  0.00           O  
HETATM   55  P   UNL     1      14.161  -1.836   0.689  1.00  0.00           P  
HETATM   56  O   UNL     1      14.182  -0.609  -0.138  1.00  0.00           O  
HETATM   57  O   UNL     1      15.003  -1.589   2.039  1.00  0.00           O  
HETATM   58  O   UNL     1      14.818  -3.052  -0.138  1.00  0.00           O  
HETATM   59  C   UNL     1      10.934  -3.756   0.252  1.00  0.00           C  
HETATM   60  O   UNL     1      11.517  -4.473   1.342  1.00  0.00           O  
HETATM   61  O   UNL     1       9.265  -2.094  -0.004  1.00  0.00           O  
HETATM   62  C   UNL     1       9.460  -3.410   0.558  1.00  0.00           C  
HETATM   63  N   UNL     1       8.566  -4.376  -0.085  1.00  0.00           N  
HETATM   64  C   UNL     1       8.136  -5.565   0.449  1.00  0.00           C  
HETATM   65  N   UNL     1       8.340  -6.207   1.594  1.00  0.00           N  
HETATM   66  C   UNL     1       7.770  -7.372   1.821  1.00  0.00           C  
HETATM   67  C   UNL     1       8.003  -4.256  -1.321  1.00  0.00           C  
HETATM   68  N   UNL     1       7.263  -5.296  -1.576  1.00  0.00           N  
HETATM   69  C   UNL     1       7.302  -6.146  -0.521  1.00  0.00           C  
HETATM   70  C   UNL     1       6.718  -7.392  -0.234  1.00  0.00           C  
HETATM   71  N   UNL     1       6.979  -7.957   0.940  1.00  0.00           N  
HETATM   72  N   UNL     1       5.887  -8.012  -1.150  1.00  0.00           N  
HETATM   73  H   UNL     1     -18.075  -0.940  -1.614  1.00  0.00           H  
HETATM   74  H   UNL     1     -19.469  -0.927  -0.501  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.676  -4.647  -1.825  1.00  0.00           H  
HETATM   76  H   UNL     1     -17.319  -0.345   0.643  1.00  0.00           H  
HETATM   77  H   UNL     1     -18.086  -1.796   1.311  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.601  -3.302   1.999  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.917  -3.242   1.424  1.00  0.00           H  
HETATM   80  H   UNL     1     -15.641  -1.817   2.207  1.00  0.00           H  
HETATM   81  H   UNL     1     -15.488  -0.928  -1.360  1.00  0.00           H  
HETATM   82  H   UNL     1     -15.886   0.536   0.542  1.00  0.00           H  
HETATM   83  H   UNL     1     -14.814  -0.440   1.565  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.968   1.169  -0.893  1.00  0.00           H  
HETATM   85  H   UNL     1     -13.629   1.583   0.809  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.322  -1.367   1.692  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.571  -1.511   1.410  1.00  0.00           H  
HETATM   88  H   UNL     1     -12.228  -0.062   2.207  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.439   1.334  -1.007  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.348   0.108   1.574  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.169   1.693   1.979  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.622   2.460   2.413  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.422   2.877   0.879  1.00  0.00           H  
HETATM   94  H   UNL     1     -10.238  -0.299  -2.098  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.577  -0.883  -0.545  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.342  -2.372  -2.098  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.244  -2.530  -0.314  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.117  -0.742  -1.949  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.648  -2.510   0.500  1.00  0.00           H  
HETATM  100  H   UNL     1     -14.445  -2.877  -2.428  1.00  0.00           H  
HETATM  101  H   UNL     1     -13.210  -3.834  -1.578  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.903  -4.682   0.013  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.453  -4.994  -1.655  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.271   1.567   0.023  1.00  0.00           H  
HETATM  105  H   UNL     1      -6.930   3.210  -0.163  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.806   3.899   1.937  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.147   2.256   2.123  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.407   3.229  -0.423  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.715   3.352  -0.360  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.374   4.995  -0.546  1.00  0.00           H  
HETATM  111  H   UNL     1      -1.250   5.683   1.554  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.591   4.040   1.740  1.00  0.00           H  
HETATM  113  H   UNL     1       0.149   5.013  -0.806  1.00  0.00           H  
HETATM  114  H   UNL     1       2.863   6.955  -0.069  1.00  0.00           H  
HETATM  115  H   UNL     1       1.887   4.795  -1.745  1.00  0.00           H  
HETATM  116  H   UNL     1       3.363   5.074   2.330  1.00  0.00           H  
HETATM  117  H   UNL     1       5.043   4.735   1.849  1.00  0.00           H  
HETATM  118  H   UNL     1       4.382   6.379   1.679  1.00  0.00           H  
HETATM  119  H   UNL     1       2.842   3.293  -0.848  1.00  0.00           H  
HETATM  120  H   UNL     1       3.990   2.862   0.441  1.00  0.00           H  
HETATM  121  H   UNL     1       2.350   3.414   0.858  1.00  0.00           H  
HETATM  122  H   UNL     1       4.504   4.906  -1.787  1.00  0.00           H  
HETATM  123  H   UNL     1       5.195   6.176  -0.749  1.00  0.00           H  
HETATM  124  H   UNL     1       8.294   5.825  -0.193  1.00  0.00           H  
HETATM  125  H   UNL     1      10.958   3.315   0.072  1.00  0.00           H  
HETATM  126  H   UNL     1      10.513  -0.499  -1.664  1.00  0.00           H  
HETATM  127  H   UNL     1      11.619   0.270  -0.500  1.00  0.00           H  
HETATM  128  H   UNL     1      10.458  -1.031   1.346  1.00  0.00           H  
HETATM  129  H   UNL     1      12.027  -2.274  -0.919  1.00  0.00           H  
HETATM  130  H   UNL     1      15.931  -1.362   1.888  1.00  0.00           H  
HETATM  131  H   UNL     1      14.837  -3.890   0.344  1.00  0.00           H  
HETATM  132  H   UNL     1      11.010  -4.334  -0.669  1.00  0.00           H  
HETATM  133  H   UNL     1      11.126  -5.345   1.492  1.00  0.00           H  
HETATM  134  H   UNL     1       9.290  -3.392   1.634  1.00  0.00           H  
HETATM  135  H   UNL     1       7.956  -7.867   2.762  1.00  0.00           H  
HETATM  136  H   UNL     1       8.149  -3.421  -1.990  1.00  0.00           H  
HETATM  137  H   UNL     1       5.702  -7.588  -2.002  1.00  0.00           H  
HETATM  138  H   UNL     1       5.490  -8.872  -0.940  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    7    2   73   74                                       
CONECT    4    5    5    2   75                                       
CONECT    5    6   22    4    4                                       
CONECT    6    8    7    9    5                                       
CONECT    7    6    3   76   77                                       
CONECT    8    6   78   79   80                                       
CONECT    9   10    6   20   81                                       
CONECT   10   11    9   82   83                                       
CONECT   11   10   12   84   85                                       
CONECT   12   13   11   14   19                                       
CONECT   13   12   86   87   88                                       
CONECT   14   15   12   17   89                                       
CONECT   15   16   24   14   90                                       
CONECT   16   15   91   92   93                                       
CONECT   17   18   14   94   95                                       
CONECT   18   19   17   96   97                                       
CONECT   19   12   20   18   98                                       
CONECT   20    9   19   21   99                                       
CONECT   21   20   22  100  101                                       
CONECT   22    5   21  102  103                                       
CONECT   23   24   24                                                 
CONECT   24   25   15   23   23                                       
CONECT   25   24   26                                                 
CONECT   26   25   27  104  105                                       
CONECT   27   26   28  106  107                                       
CONECT   28   27   29  108                                            
CONECT   29   30   30   28   31                                       
CONECT   30   29   29                                                 
CONECT   31   29   32  109  110                                       
CONECT   32   31   33  111  112                                       
CONECT   33   32   34  113                                            
CONECT   34   33   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37   38  114                                       
CONECT   37   36  115                                                 
CONECT   38   36   39   40   41                                       
CONECT   39   38  116  117  118                                       
CONECT   40   38  119  120  121                                       
CONECT   41   38   42  122  123                                       
CONECT   42   41   43                                                 
CONECT   43   42   45   45   46                                       
CONECT   43   44                                                      
CONECT   44   43  124                                                 
CONECT   45   43   43                                                 
CONECT   46   43   47                                                 
CONECT   47   46   49   49   48                                       
CONECT   47   50                                                      
CONECT   48   47  125                                                 
CONECT   49   47   47                                                 
CONECT   50   47   51                                                 
CONECT   51   50   52  126  127                                       
CONECT   52   61   51   53  128                                       
CONECT   53   59   52   54  129                                       
CONECT   54   53   55                                                 
CONECT   55   54   56   56   58                                       
CONECT   55   57                                                      
CONECT   56   55   55                                                 
CONECT   57   55  130                                                 
CONECT   58   55  131                                                 
CONECT   59   62   53   60  132                                       
CONECT   60   59  133                                                 
CONECT   61   62   52                                                 
CONECT   62   63   61   59  134                                       
CONECT   63   67   64   62                                            
CONECT   64   69   63   65   65                                       
CONECT   65   66   64   64                                            
CONECT   66   71   71   65  135                                       
CONECT   67   68   68   63  136                                       
CONECT   68   69   67   67                                            
CONECT   69   70   70   68   64                                       
CONECT   70   72   69   69   71                                       
CONECT   71   70   66   66                                            
CONECT   72   70  137  138                                            
CONECT   73    3                                                      
CONECT   74    3                                                      
CONECT   75    4                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    8                                                      
CONECT   80    8                                                      
CONECT   81    9                                                      
CONECT   82   10                                                      
CONECT   83   10                                                      
CONECT   84   11                                                      
CONECT   85   11                                                      
CONECT   86   13                                                      
CONECT   87   13                                                      
CONECT   88   13                                                      
CONECT   89   14                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   16                                                      
CONECT   94   17                                                      
CONECT   95   17                                                      
CONECT   96   18                                                      
CONECT   97   18                                                      
CONECT   98   19                                                      
CONECT   99   20                                                      
CONECT  100   21                                                      
CONECT  101   21                                                      
CONECT  102   22                                                      
CONECT  103   22                                                      
CONECT  104   26                                                      
CONECT  105   26                                                      
CONECT  106   27                                                      
CONECT  107   27                                                      
CONECT  108   28                                                      
CONECT  109   31                                                      
CONECT  110   31                                                      
CONECT  111   32                                                      
CONECT  112   32                                                      
CONECT  113   33                                                      
CONECT  114   36                                                      
CONECT  115   37                                                      
CONECT  116   39                                                      
CONECT  117   39                                                      
CONECT  118   39                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   40                                                      
CONECT  122   41                                                      
CONECT  123   41                                                      
CONECT  124   44                                                      
CONECT  125   48                                                      
CONECT  126   51                                                      
CONECT  127   51                                                      
CONECT  128   52                                                      
CONECT  129   53                                                      
CONECT  130   57                                                      
CONECT  131   58                                                      
CONECT  132   59                                                      
CONECT  133   60                                                      
CONECT  134   62                                                      
CONECT  135   66                                                      
CONECT  136   67                                                      
CONECT  137   72                                                      
CONECT  138   72                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
