COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.009   2.204  -1.742  1.00  0.00           C  
HETATM    2  C   UNL     1       5.467   2.593   0.484  1.00  0.00           C  
HETATM    3  C   UNL     1       4.593   1.583   0.835  1.00  0.00           C  
HETATM    4  C   UNL     1       3.923   0.899  -0.182  1.00  0.00           C  
HETATM    5  C   UNL     1       2.998  -3.284  -0.422  1.00  0.00           C  
HETATM    6  C   UNL     1       3.734  -4.432  -0.642  1.00  0.00           C  
HETATM    7  C   UNL     1       4.205  -2.175  -2.168  1.00  0.00           C  
HETATM    8  C   UNL     1       2.729  -0.405   1.455  1.00  0.00           C  
HETATM    9  C   UNL     1       3.575  -1.205   2.211  1.00  0.00           C  
HETATM   10  C   UNL     1       3.271  -1.479   3.530  1.00  0.00           C  
HETATM   11  C   UNL     1       2.124  -0.960   4.106  1.00  0.00           C  
HETATM   12  C   UNL     1       1.569   0.122   2.036  1.00  0.00           C  
HETATM   13  C   UNL     1       1.147   2.128   0.617  1.00  0.00           C  
HETATM   14  C   UNL     1       0.300   2.926  -0.127  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.683   0.635   1.104  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.553   0.440  -0.050  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.481  -0.060   0.820  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.194  -1.142   0.528  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.693  -1.435   0.419  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.761  -0.291  -1.713  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.263   0.002  -1.604  1.00  0.00           C  
HETATM   22  N   UNL     1       5.227   2.530  -3.069  1.00  0.00           N  
HETATM   23  N   UNL     1       5.651   2.876  -0.797  1.00  0.00           N  
HETATM   24  N   UNL     1       4.159   1.232  -1.447  1.00  0.00           N  
HETATM   25  N   UNL     1       3.037  -0.123   0.123  1.00  0.00           N  
HETATM   26  C   UNL     1       2.423  -0.906  -0.952  1.00  0.00           C  
HETATM   27  C   UNL     1       3.231  -2.156  -1.187  1.00  0.00           C  
HETATM   28  C   UNL     1       4.705  -4.453  -1.626  1.00  0.00           C  
HETATM   29  C   UNL     1       4.938  -3.326  -2.391  1.00  0.00           C  
HETATM   30  C   UNL     1       1.275  -0.162   3.367  1.00  0.00           C  
HETATM   31  C   UNL     1       0.659   0.978   1.237  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.034   2.594  -0.257  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.533   1.449   0.362  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.966   1.089   0.215  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.834   1.895  -0.526  1.00  0.00           C  
HETATM   36  N   UNL     1      -5.102   1.541  -0.633  1.00  0.00           N  
HETATM   37  N   UNL     1      -4.762  -0.346   0.665  1.00  0.00           N  
HETATM   38  N   UNL     1      -6.888   0.105  -0.187  1.00  0.00           N  
HETATM   39  N   UNL     1      -9.067  -1.538  -0.999  1.00  0.00           N  
HETATM   40  H   UNL     1       5.995   3.147   1.246  1.00  0.00           H  
HETATM   41  H   UNL     1       4.426   1.332   1.872  1.00  0.00           H  
HETATM   42  H   UNL     1       2.237  -3.268   0.344  1.00  0.00           H  
HETATM   43  H   UNL     1       3.552  -5.313  -0.044  1.00  0.00           H  
HETATM   44  H   UNL     1       4.387  -1.295  -2.766  1.00  0.00           H  
HETATM   45  H   UNL     1       4.470  -1.614   1.767  1.00  0.00           H  
HETATM   46  H   UNL     1       3.931  -2.102   4.115  1.00  0.00           H  
HETATM   47  H   UNL     1       1.894  -1.179   5.138  1.00  0.00           H  
HETATM   48  H   UNL     1       2.189   2.392   0.715  1.00  0.00           H  
HETATM   49  H   UNL     1       0.683   3.813  -0.610  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.066  -0.253   1.586  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.842  -0.706   1.403  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.920  -1.037   1.577  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.630  -1.963   0.084  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.917  -2.375   0.923  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.256  -0.627   0.886  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.325   0.530  -1.270  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.036  -0.396  -2.763  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.700  -0.805  -2.071  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.038   0.942  -2.109  1.00  0.00           H  
HETATM   60  H   UNL     1       5.844   3.242  -3.298  1.00  0.00           H  
HETATM   61  H   UNL     1       4.764   2.045  -3.770  1.00  0.00           H  
HETATM   62  H   UNL     1       1.406  -1.178  -0.669  1.00  0.00           H  
HETATM   63  H   UNL     1       2.399  -0.312  -1.866  1.00  0.00           H  
HETATM   64  H   UNL     1       5.278  -5.352  -1.801  1.00  0.00           H  
HETATM   65  H   UNL     1       5.696  -3.342  -3.160  1.00  0.00           H  
HETATM   66  H   UNL     1       0.381   0.241   3.820  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.691   3.221  -0.840  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.473   2.794  -1.003  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.613  -2.326  -1.436  1.00  0.00           H  
CONECT    1   22   24   24   23                                       
CONECT    2   23   23    3   40                                       
CONECT    3    4    4    2   41                                       
CONECT    4   24   25    3    3                                       
CONECT    5    6    6   27   42                                       
CONECT    6   28    5    5   43                                       
CONECT    7   29   27   27   44                                       
CONECT    8    9   25   12   12                                       
CONECT    9   10   10    8   45                                       
CONECT   10    9    9   11   46                                       
CONECT   11   10   30   30   47                                       
CONECT   12    8    8   30   31                                       
CONECT   13   31   31   14   48                                       
CONECT   14   13   32   32   49                                       
CONECT   15   31   33   33   50                                       
CONECT   16   36   36   37   38                                       
CONECT   17   34   37   37   51                                       
CONECT   18   38   19   52   53                                       
CONECT   19   18   39   54   55                                       
CONECT   20   21   39   56   57                                       
CONECT   21   38   20   58   59                                       
CONECT   22    1   60   61                                            
CONECT   23    1    2    2                                            
CONECT   24    1    1    4                                            
CONECT   25   26    4    8                                            
CONECT   26   27   25   62   63                                       
CONECT   27    7    7    5   26                                       
CONECT   28   29   29    6   64                                       
CONECT   29   28   28    7   65                                       
CONECT   30   11   11   12   66                                       
CONECT   31   12   13   13   15                                       
CONECT   32   14   14   33   67                                       
CONECT   33   15   15   32   34                                       
CONECT   34   33   35   35   17                                       
CONECT   35   34   34   36   68                                       
CONECT   36   35   16   16                                            
CONECT   37   17   17   16                                            
CONECT   38   16   18   21                                            
CONECT   39   19   20   69                                            
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   26                                                      
CONECT   63   26                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   30                                                      
CONECT   67   32                                                      
CONECT   68   35                                                      
CONECT   69   39                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
