COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.969   3.976   2.779  1.00  0.00           C  
HETATM    2  N   UNL     1       5.826   3.447   1.416  1.00  0.00           N  
HETATM    3  C   UNL     1       6.942   2.554   1.078  1.00  0.00           C  
HETATM    4  C   UNL     1       4.536   2.765   1.250  1.00  0.00           C  
HETATM    5  C   UNL     1       4.313   2.449  -0.231  1.00  0.00           C  
HETATM    6  C   UNL     1       2.990   1.748  -0.402  1.00  0.00           C  
HETATM    7  O   UNL     1       2.293   1.524   0.565  1.00  0.00           O  
HETATM    8  N   UNL     1       2.581   1.372  -1.629  1.00  0.00           N  
HETATM    9  C   UNL     1       1.401   0.633  -1.777  1.00  0.00           C  
HETATM   10  C   UNL     1       1.023  -0.273  -0.799  1.00  0.00           C  
HETATM   11  C   UNL     1       0.605   0.813  -2.903  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.560   0.086  -3.054  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.942  -0.823  -2.088  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.153  -1.007  -0.951  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.560  -1.981   0.086  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.729  -1.898   0.971  1.00  0.00           C  
HETATM   17  C   UNL     1       0.072  -3.149   0.417  1.00  0.00           C  
HETATM   18  C   UNL     1       1.302  -3.659  -0.217  1.00  0.00           C  
HETATM   19  C   UNL     1       2.355  -4.131   0.572  1.00  0.00           C  
HETATM   20  C   UNL     1       3.500  -4.612  -0.027  1.00  0.00           C  
HETATM   21  C   UNL     1       3.608  -4.629  -1.406  1.00  0.00           C  
HETATM   22  C   UNL     1       2.570  -4.164  -2.195  1.00  0.00           C  
HETATM   23  C   UNL     1       1.419  -3.680  -1.609  1.00  0.00           C  
HETATM   24  O   UNL     1      -0.603  -3.760   1.410  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.685  -3.050   1.773  1.00  0.00           C  
HETATM   26  N   UNL     1      -2.644  -3.228   2.678  1.00  0.00           N  
HETATM   27  C   UNL     1      -3.611  -2.345   2.817  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.690  -1.251   2.084  1.00  0.00           N  
HETATM   29  C   UNL     1      -2.776  -0.985   1.153  1.00  0.00           C  
HETATM   30  N   UNL     1      -2.859   0.162   0.385  1.00  0.00           N  
HETATM   31  CA  UNL     1      -3.962   1.104   0.592  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.178   0.651  -0.219  1.00  0.00           C  
HETATM   33  O   UNL     1      -4.874   0.723  -1.613  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.540   2.478   0.139  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.791   2.627  -1.013  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.405   3.888  -1.428  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.767   5.000  -0.691  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.517   4.851   0.460  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.908   3.591   0.873  1.00  0.00           C  
HETATM   40  H   UNL     1       6.933   4.477   2.875  1.00  0.00           H  
HETATM   41  H   UNL     1       5.169   4.689   2.979  1.00  0.00           H  
HETATM   42  H   UNL     1       5.913   3.156   3.495  1.00  0.00           H  
HETATM   43  H   UNL     1       6.962   1.718   1.777  1.00  0.00           H  
HETATM   44  H   UNL     1       6.811   2.177   0.064  1.00  0.00           H  
HETATM   45  H   UNL     1       7.880   3.105   1.142  1.00  0.00           H  
HETATM   46  H   UNL     1       4.539   1.837   1.822  1.00  0.00           H  
HETATM   47  H   UNL     1       3.734   3.411   1.608  1.00  0.00           H  
HETATM   48  H   UNL     1       4.310   3.376  -0.804  1.00  0.00           H  
HETATM   49  H   UNL     1       5.115   1.803  -0.589  1.00  0.00           H  
HETATM   50  H   UNL     1       3.104   1.612  -2.410  1.00  0.00           H  
HETATM   51  H   UNL     1       1.638  -0.411   0.078  1.00  0.00           H  
HETATM   52  H   UNL     1       0.899   1.523  -3.662  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.175   0.230  -3.930  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.854  -1.390  -2.209  1.00  0.00           H  
HETATM   55  H   UNL     1       2.272  -4.118   1.649  1.00  0.00           H  
HETATM   56  H   UNL     1       4.314  -4.976   0.582  1.00  0.00           H  
HETATM   57  H   UNL     1       4.507  -5.006  -1.870  1.00  0.00           H  
HETATM   58  H   UNL     1       2.661  -4.180  -3.271  1.00  0.00           H  
HETATM   59  H   UNL     1       0.608  -3.321  -2.226  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.372  -2.525   3.562  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.186   0.344  -0.290  1.00  0.00           H  
HETATM   62  HA  UNL     1      -4.221   1.134   1.650  1.00  0.00           H  
HETATM   63  H1  UNL     1      -5.428  -0.377   0.045  1.00  0.00           H  
HETATM   64  H2  UNL     1      -6.025   1.300   0.003  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.602   0.450  -2.189  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.507   1.758  -1.589  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.819   4.004  -2.328  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.465   5.984  -1.015  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.801   5.720   1.036  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.497   3.475   1.771  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    3    4    1                                            
CONECT    3    2   43   44   45                                       
CONECT    4    2    5   46   47                                       
CONECT    5    4    6   48   49                                       
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   50                                            
CONECT    9   11    8   10   10                                       
CONECT   10    9    9   14   51                                       
CONECT   11   12   12    9   52                                       
CONECT   12   11   11   13   53                                       
CONECT   13   12   14   14   54                                       
CONECT   14   13   13   10   15                                       
CONECT   15   14   17   17   16                                       
CONECT   16   15   29   29   25                                       
CONECT   17   18   15   15   24                                       
CONECT   18   19   23   23   17                                       
CONECT   19   20   20   18   55                                       
CONECT   20   19   19   21   56                                       
CONECT   21   20   22   22   57                                       
CONECT   22   21   21   23   58                                       
CONECT   23   18   18   22   59                                       
CONECT   24   17   25                                                 
CONECT   25   16   24   26   26                                       
CONECT   26   25   25   27                                            
CONECT   27   28   28   26   60                                       
CONECT   28   29   27   27                                            
CONECT   29   30   16   16   28                                       
CONECT   30   31   29   61                                            
CONECT   31   32   30   34   62                                       
CONECT   32   33   31   63   64                                       
CONECT   33   32   65                                                 
CONECT   34   35   31   39   39                                       
CONECT   35   36   36   34   66                                       
CONECT   36   35   35   37   67                                       
CONECT   37   36   38   38   68                                       
CONECT   38   37   37   39   69                                       
CONECT   39   34   34   38   70                                       
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   27                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
