COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.472   2.744  -0.365  1.00  0.00           C  
HETATM    2  C   UNL     1       2.151   4.148   1.525  1.00  0.00           C  
HETATM    3  N   UNL     1       1.902  -2.655  -0.342  1.00  0.00           N  
HETATM    4  C   UNL     1       3.249  -2.696  -0.021  1.00  0.00           C  
HETATM    5  C   UNL     1       4.173  -1.939  -0.745  1.00  0.00           C  
HETATM    6  C   UNL     1       3.726  -1.064  -1.888  1.00  0.00           C  
HETATM    7  C   UNL     1       3.279   0.272  -1.352  1.00  0.00           C  
HETATM    8  C   UNL     1       4.195   1.303  -1.223  1.00  0.00           C  
HETATM    9  C   UNL     1       3.797   2.536  -0.732  1.00  0.00           C  
HETATM   10  O   UNL     1       4.703   3.543  -0.609  1.00  0.00           O  
HETATM   11  C   UNL     1       6.046   3.260  -1.005  1.00  0.00           C  
HETATM   12  O   UNL     1       2.077   3.953   0.112  1.00  0.00           O  
HETATM   13  C   UNL     1       1.544   1.700  -0.495  1.00  0.00           C  
HETATM   14  C   UNL     1       1.963   0.460  -0.993  1.00  0.00           C  
HETATM   15  C   UNL     1       5.506  -2.011  -0.390  1.00  0.00           C  
HETATM   16  N   UNL     1       5.867  -2.790   0.619  1.00  0.00           N  
HETATM   17  C   UNL     1       4.969  -3.497   1.289  1.00  0.00           C  
HETATM   18  N   UNL     1       5.386  -4.298   2.337  1.00  0.00           N  
HETATM   19  N   UNL     1       3.681  -3.452   0.984  1.00  0.00           N  
HETATM   20  C   UNL     1       0.141   1.906  -0.110  1.00  0.00           C  
HETATM   21  O   UNL     1      -2.505   2.184   0.578  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.145   1.104   0.145  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.033   0.098   0.018  1.00  0.00           N  
HETATM   24  N   UNL     1      -2.623  -1.148  -0.480  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.449  -1.874  -1.171  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.825  -1.398  -1.403  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.645  -2.015  -2.348  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.925  -1.542  -2.554  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.397  -0.466  -1.822  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.595   0.138  -0.869  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.317  -0.327  -0.651  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.435   0.297   0.407  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.700  -0.373   1.757  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.749   0.899  -0.237  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.914   0.354   2.850  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.465   1.772   3.016  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.055  -0.406   4.170  1.00  0.00           C  
HETATM   38  H   UNL     1       1.808   5.153   1.771  1.00  0.00           H  
HETATM   39  H   UNL     1       1.520   3.415   2.027  1.00  0.00           H  
HETATM   40  H   UNL     1       3.183   4.026   1.855  1.00  0.00           H  
HETATM   41  H   UNL     1       1.594  -2.098  -1.074  1.00  0.00           H  
HETATM   42  H   UNL     1       1.266  -3.184   0.166  1.00  0.00           H  
HETATM   43  H   UNL     1       4.555  -0.919  -2.580  1.00  0.00           H  
HETATM   44  H   UNL     1       2.896  -1.542  -2.409  1.00  0.00           H  
HETATM   45  H   UNL     1       5.225   1.146  -1.507  1.00  0.00           H  
HETATM   46  H   UNL     1       6.663   4.146  -0.856  1.00  0.00           H  
HETATM   47  H   UNL     1       6.437   2.440  -0.402  1.00  0.00           H  
HETATM   48  H   UNL     1       6.063   2.978  -2.057  1.00  0.00           H  
HETATM   49  H   UNL     1       1.254  -0.348  -1.096  1.00  0.00           H  
HETATM   50  H   UNL     1       6.246  -1.439  -0.930  1.00  0.00           H  
HETATM   51  H   UNL     1       6.326  -4.337   2.574  1.00  0.00           H  
HETATM   52  H   UNL     1       4.738  -4.821   2.836  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.178   2.864   0.274  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.129  -2.824  -1.573  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.281  -2.858  -2.915  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.561  -2.013  -3.289  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.397  -0.096  -1.996  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.970   0.974  -0.297  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.647   1.364   0.477  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.765  -0.327   1.983  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.382  -1.415   1.713  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.429  -0.059  -0.622  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.862   0.404   2.569  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.905   2.290   3.795  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.365   2.313   2.076  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.517   1.722   3.297  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.505   0.119   4.952  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.108  -0.466   4.445  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.652  -1.412   4.055  1.00  0.00           H  
CONECT    1   12   13   13    9                                       
CONECT    2   12   38   39   40                                       
CONECT    3    4   41   42                                            
CONECT    4    5    5   19    3                                       
CONECT    5   15    6    4    4                                       
CONECT    6    7    5   43   44                                       
CONECT    7   14   14    8    6                                       
CONECT    8    9    9    7   45                                       
CONECT    9    1   10    8    8                                       
CONECT   10    9   11                                                 
CONECT   11   10   46   47   48                                       
CONECT   12    2    1                                                 
CONECT   13   20    1    1   14                                       
CONECT   14   13    7    7   49                                       
CONECT   15   16   16    5   50                                       
CONECT   16   15   15   17                                            
CONECT   17   16   18   19   19                                       
CONECT   18   17   51   52                                            
CONECT   19   17   17    4                                            
CONECT   20   34   34   13   53                                       
CONECT   21   22   22                                                 
CONECT   22   21   21   23   34                                       
CONECT   23   32   22   24                                            
CONECT   24   23   25   25                                            
CONECT   25   26   24   24   54                                       
CONECT   26   31   31   27   25                                       
CONECT   27   28   28   26   55                                       
CONECT   28   29   27   27   56                                       
CONECT   29   30   30   28   57                                       
CONECT   30   29   29   31   58                                       
CONECT   31   30   32   26   26                                       
CONECT   32   31   23   33   59                                       
CONECT   33   32   35   60   61                                       
CONECT   34   22   20   20   62                                       
CONECT   35   36   37   33   63                                       
CONECT   36   35   64   65   66                                       
CONECT   37   35   67   68   69                                       
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    8                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   11                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   25                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   32                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
