COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.791  -3.276  -2.229  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.565  -2.359   0.185  1.00  0.00           O  
HETATM    3  O   UNL     1       0.903  -0.137   2.361  1.00  0.00           O  
HETATM    4  O   UNL     1      -7.958  -0.016   0.264  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.090   0.396  -2.071  1.00  0.00           O  
HETATM    6  O   UNL     1      -9.035   1.845  -1.058  1.00  0.00           O  
HETATM    7  C   UNL     1      -5.333   1.025   1.613  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.383   1.328  -0.571  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.164   0.421   2.035  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.212   0.734  -0.142  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.886  -2.719  -1.220  1.00  0.00           N  
HETATM   12  O   UNL     1      -6.594   2.075  -0.110  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.375  -2.287  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1       0.729  -0.305   1.172  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.445   1.481   0.308  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.105   0.275   1.158  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.444  -1.714   0.996  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.669  -0.448   0.627  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.827  -0.372   1.624  1.00  0.00           C  
HETATM   20  P   UNL     1      -7.675   1.051  -0.722  1.00  0.00           P  
HETATM   21  C   UNL     1       4.263  -3.901   0.654  1.00  0.00           C  
HETATM   22  O   UNL     1       3.618   0.505  -1.326  1.00  0.00           O  
HETATM   23  C   UNL     1       3.649  -2.577   0.194  1.00  0.00           C  
HETATM   24  C   UNL     1       2.716  -2.100   2.462  1.00  0.00           C  
HETATM   25  N   UNL     1       1.787  -0.364   0.338  1.00  0.00           N  
HETATM   26  C   UNL     1       4.059   0.282  -0.219  1.00  0.00           C  
HETATM   27  C   UNL     1       3.643  -1.586   1.359  1.00  0.00           C  
HETATM   28  C   UNL     1       3.146  -0.225   0.868  1.00  0.00           C  
HETATM   29  C   UNL     1       6.747  -0.181  -1.839  1.00  0.00           C  
HETATM   30  N   UNL     1       5.365   0.487   0.041  1.00  0.00           N  
HETATM   31  O   UNL     1       6.397  -1.310  -1.567  1.00  0.00           O  
HETATM   32  C   UNL     1       6.253   0.980  -1.015  1.00  0.00           C  
HETATM   33  C   UNL     1       7.445   1.702  -0.384  1.00  0.00           C  
HETATM   34  C   UNL     1       6.962   2.933   0.337  1.00  0.00           C  
HETATM   35  N   UNL     1       7.583   0.034  -2.874  1.00  0.00           N  
HETATM   36  O   UNL     1       5.781   3.207   0.346  1.00  0.00           O  
HETATM   37  N   UNL     1       7.843   3.731   0.973  1.00  0.00           N  
HETATM   38  H   UNL     1      -2.218  -3.569  -3.109  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.299  -4.149  -1.819  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.882   1.038  -2.763  1.00  0.00           H  
HETATM   41  H   UNL     1      -9.733   1.290  -1.431  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.160   1.138   2.298  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.466   1.686  -1.587  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.078   0.062   3.050  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.385   0.615  -0.826  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.944  -2.444   1.633  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.831  -0.030  -0.366  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.578  -0.219   2.674  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.529  -2.524  -2.510  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.935  -2.661  -1.401  1.00  0.00           H  
HETATM   51  H   UNL     1       1.705  -2.204   2.068  1.00  0.00           H  
HETATM   52  H   UNL     1       4.267  -4.608  -0.177  1.00  0.00           H  
HETATM   53  H   UNL     1       5.286  -3.730   0.990  1.00  0.00           H  
HETATM   54  H   UNL     1       3.674  -4.309   1.475  1.00  0.00           H  
HETATM   55  H   UNL     1       3.071  -3.070   2.812  1.00  0.00           H  
HETATM   56  H   UNL     1       2.712  -1.394   3.292  1.00  0.00           H  
HETATM   57  H   UNL     1       4.238  -2.169  -0.628  1.00  0.00           H  
HETATM   58  H   UNL     1       2.626  -2.748  -0.143  1.00  0.00           H  
HETATM   59  H   UNL     1       1.648  -0.498  -0.612  1.00  0.00           H  
HETATM   60  H   UNL     1       4.654  -1.482   1.753  1.00  0.00           H  
HETATM   61  H   UNL     1       3.141   0.482   1.698  1.00  0.00           H  
HETATM   62  H   UNL     1       5.718   0.309   0.927  1.00  0.00           H  
HETATM   63  H   UNL     1       5.707   1.673  -1.656  1.00  0.00           H  
HETATM   64  H   UNL     1       7.939   1.036   0.324  1.00  0.00           H  
HETATM   65  H   UNL     1       8.150   1.990  -1.164  1.00  0.00           H  
HETATM   66  H   UNL     1       7.866   0.936  -3.089  1.00  0.00           H  
HETATM   67  H   UNL     1       7.901  -0.714  -3.404  1.00  0.00           H  
HETATM   68  H   UNL     1       8.788   3.512   0.966  1.00  0.00           H  
HETATM   69  H   UNL     1       7.532   4.524   1.438  1.00  0.00           H  
CONECT    1   38   39   11   49                                       
CONECT    2   13   13                                                 
CONECT    3   14   14                                                 
CONECT    4   20   20                                                 
CONECT    5   20   40                                                 
CONECT    6   41   20                                                 
CONECT    7    9   42   15   15                                       
CONECT    8   10   10   15   43                                       
CONECT    9    7   44   16   16                                       
CONECT   10    8    8   16   45                                       
CONECT   11    1   13   50                                            
CONECT   12   15   20                                                 
CONECT   13   11    2    2   17                                       
CONECT   14    3    3   25   18                                       
CONECT   15    8   12    7    7                                       
CONECT   16   10    9    9   19                                       
CONECT   17   13   18   46   19                                       
CONECT   18   17   14   47   19                                       
CONECT   19   16   17   18   48                                       
CONECT   20    4    4    5   12                                       
CONECT   20    6                                                      
CONECT   21   52   53   54   23                                       
CONECT   22   26   26                                                 
CONECT   23   21   57   58   27                                       
CONECT   24   51   55   56   27                                       
CONECT   25   28   59   14                                            
CONECT   26   30   22   22   28                                       
CONECT   27   24   23   60   28                                       
CONECT   28   25   26   27   61                                       
CONECT   29   35   32   31   31                                       
CONECT   30   26   62   32                                            
CONECT   31   29   29                                                 
CONECT   32   29   30   63   33                                       
CONECT   33   32   64   65   34                                       
CONECT   34   33   36   36   37                                       
CONECT   35   29   66   67                                            
CONECT   36   34   34                                                 
CONECT   37   34   68   69                                            
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49    1                                                      
CONECT   50   11                                                      
CONECT   51   24                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   25                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   33                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   35                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
