COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       5.921  -0.845   0.659  1.00  0.00           N  
HETATM    2  C   UNL     1       5.784  -1.105  -0.654  1.00  0.00           C  
HETATM    3  O   UNL     1       5.225  -0.297  -1.369  1.00  0.00           O  
HETATM    4  N   UNL     1       6.257  -2.247  -1.186  1.00  0.00           N  
HETATM    5  C   UNL     1       6.879  -3.154  -0.405  1.00  0.00           C  
HETATM    6  O   UNL     1       7.308  -4.188  -0.886  1.00  0.00           O  
HETATM    7  C   UNL     1       7.030  -2.893   0.978  1.00  0.00           C  
HETATM    8  C   UNL     1       6.546  -1.739   1.485  1.00  0.00           C  
HETATM    9  P   UNL     1       0.295   2.155  -0.985  1.00  0.00           P  
HETATM   10  P   UNL     1      -2.276   0.709  -1.271  1.00  0.00           P  
HETATM   11  C   UNL     1      -4.689  -0.145  -0.504  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.363   0.267  -0.168  1.00  0.00           O  
HETATM   13  O   UNL     1       0.682   1.817  -2.373  1.00  0.00           O  
HETATM   14  C   UNL     1       5.402   0.409   1.209  1.00  0.00           C  
HETATM   15  O   UNL     1      -2.835   1.794  -2.108  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.641   0.217   0.639  1.00  0.00           C  
HETATM   17  O   UNL     1       7.347   1.898   1.366  1.00  0.00           O  
HETATM   18  O   UNL     1      -0.134   3.705  -0.909  1.00  0.00           O  
HETATM   19  C   UNL     1       6.163   1.622   0.615  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.913  -0.554  -2.202  1.00  0.00           O  
HETATM   21  C   UNL     1      -5.223  -0.544   1.901  1.00  0.00           C  
HETATM   22  O   UNL     1      -6.150  -0.269   2.954  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.944   1.232  -0.533  1.00  0.00           O  
HETATM   24  C   UNL     1       5.129   2.763   0.773  1.00  0.00           C  
HETATM   25  O   UNL     1       5.404   3.527   1.949  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.220  -2.046   1.601  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.764  -2.762   2.750  1.00  0.00           O  
HETATM   28  C   UNL     1       3.778   2.033   0.908  1.00  0.00           C  
HETATM   29  O   UNL     1       4.039   0.625   0.783  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.285  -2.321   0.420  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.711  -1.559  -0.711  1.00  0.00           O  
HETATM   32  C   UNL     1       2.829   2.488  -0.202  1.00  0.00           C  
HETATM   33  O   UNL     1       1.544   1.895  -0.002  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.322  -3.811   0.075  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.333   2.505   0.167  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.068   2.074  -0.695  1.00  0.00           O  
HETATM   37  C   UNL     1      -6.266   3.988   0.428  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.576   1.658   0.893  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.673  -5.551  -0.591  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.507  -4.823  -0.783  1.00  0.00           N1+
HETATM   41  N   UNL     1      -3.340  -4.094  -0.975  1.00  0.00           N  
HETATM   42  H   UNL     1       6.150  -2.419  -2.134  1.00  0.00           H  
HETATM   43  H   UNL     1       7.525  -3.608   1.619  1.00  0.00           H  
HETATM   44  H   UNL     1       6.653  -1.523   2.538  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.007   0.361  -1.416  1.00  0.00           H  
HETATM   46  H   UNL     1       5.470   0.408   2.297  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.659  -0.059   0.366  1.00  0.00           H  
HETATM   48  H   UNL     1       7.857   2.649   1.033  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.400   3.996  -0.026  1.00  0.00           H  
HETATM   50  H   UNL     1       6.401   1.455  -0.436  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.541  -1.304  -1.719  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.224  -0.229   2.203  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.946  -0.720   3.785  1.00  0.00           H  
HETATM   54  H   UNL     1       5.132   3.405  -0.107  1.00  0.00           H  
HETATM   55  H   UNL     1       6.268   3.961   1.943  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.230  -2.369   1.348  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.736  -3.721   2.631  1.00  0.00           H  
HETATM   58  H   UNL     1       3.339   2.244   1.883  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.267  -2.035   0.689  1.00  0.00           H  
HETATM   60  H   UNL     1       2.736   3.573  -0.179  1.00  0.00           H  
HETATM   61  H   UNL     1       3.225   2.177  -1.169  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.083  -4.396   0.964  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.318  -4.077  -0.277  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.007   4.258   1.180  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.271   4.249   0.788  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.471   4.529  -0.496  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.988   2.003   1.582  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.830  -5.239  -0.226  1.00  0.00           H  
CONECT    1   14    8    2                                            
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5   42                                            
CONECT    5    7    4    6    6                                       
CONECT    6    5    5                                                 
CONECT    7    8    8    5   43                                       
CONECT    8    1    7    7   44                                       
CONECT    9   13   13   23   33                                       
CONECT    9   18                                                      
CONECT   10   23   15   15   12                                       
CONECT   10   20                                                      
CONECT   11   31   12   16   45                                       
CONECT   12   11   10                                                 
CONECT   13    9    9                                                 
CONECT   14   29   19    1   46                                       
CONECT   15   10   10                                                 
CONECT   16   11   21   38   47                                       
CONECT   17   19   48                                                 
CONECT   18    9   49                                                 
CONECT   19   24   14   17   50                                       
CONECT   20   10   51                                                 
CONECT   21   26   16   22   52                                       
CONECT   22   21   53                                                 
CONECT   23    9   10                                                 
CONECT   24   28   25   19   54                                       
CONECT   25   24   55                                                 
CONECT   26   30   27   21   56                                       
CONECT   27   26   57                                                 
CONECT   28   32   24   29   58                                       
CONECT   29   28   14                                                 
CONECT   30   34   31   26   59                                       
CONECT   31   30   11                                                 
CONECT   32   28   33   60   61                                       
CONECT   33   32    9                                                 
CONECT   34   41   30   62   63                                       
CONECT   35   38   37   36   36                                       
CONECT   36   35   35                                                 
CONECT   37   35   64   65   66                                       
CONECT   38   16   35   67                                            
CONECT   39   40   40   68                                            
CONECT   40   41   41   39   39                                       
CONECT   41   34   40   40                                            
CONECT   42    4                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   30                                                      
CONECT   60   32                                                      
CONECT   61   32                                                      
CONECT   62   34                                                      
CONECT   63   34                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   38                                                      
CONECT   68   39                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
