COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.810   2.839  -0.537  1.00  0.00           C  
HETATM    2  C   UNL     1       8.778   0.566  -0.718  1.00  0.00           C  
HETATM    3  C   UNL     1       7.725  -0.306  -0.540  1.00  0.00           C  
HETATM    4  C   UNL     1       1.828  -0.483   0.905  1.00  0.00           C  
HETATM    5  C   UNL     1       1.804   0.844   1.270  1.00  0.00           C  
HETATM    6  C   UNL     1       0.618   1.566   1.239  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.546   0.970   0.846  1.00  0.00           C  
HETATM    8  C   UNL     1       3.261  -1.950   2.300  1.00  0.00           C  
HETATM    9  C   UNL     1       3.122  -1.254   0.944  1.00  0.00           C  
HETATM   10  C   UNL     1       5.397  -0.778   0.213  1.00  0.00           C  
HETATM   11  C   UNL     1       6.530   0.152   0.018  1.00  0.00           C  
HETATM   12  C   UNL     1       6.410   1.491   0.393  1.00  0.00           C  
HETATM   13  C   UNL     1       7.471   2.353   0.209  1.00  0.00           C  
HETATM   14  C   UNL     1       8.653   1.893  -0.345  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.546  -0.375   0.472  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.590  -1.298   0.011  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.024  -0.987  -0.183  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.999  -1.605   0.608  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.326  -1.280   0.387  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.643  -0.364  -0.600  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.087  -0.013  -0.849  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.699   2.368  -0.626  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.039   3.600   0.216  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.199   2.690   0.710  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.880   1.447  -0.127  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.425  -0.070  -1.154  1.00  0.00           C  
HETATM   27  CA  UNL     1      -0.970  -2.515  -0.206  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.631  -3.736  -0.675  1.00  0.00           C  
HETATM   29  C   UNL     1       0.652  -1.114   0.506  1.00  0.00           C  
HETATM   30  N   UNL     1       4.245  -0.333   0.752  1.00  0.00           N  
HETATM   31  N   UNL     1       9.720   3.459  -1.866  1.00  0.00           N  
HETATM   32  N   UNL     1      -7.430   1.205  -0.102  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.702   0.203  -1.331  1.00  0.00           N  
HETATM   34  N   UNL     1       0.373  -2.394   0.090  1.00  0.00           N  
HETATM   35  O   UNL     1       5.505  -1.944  -0.114  1.00  0.00           O  
HETATM   36  O   UNL     1      -8.455   3.803   0.206  1.00  0.00           O  
HETATM   37  O   UNL     1      -2.825  -3.730  -0.908  1.00  0.00           O  
HETATM   38  OXT UNL     1      -0.915  -4.866  -0.850  1.00  0.00           O  
HETATM   39  H   UNL     1       9.776   3.614   0.228  1.00  0.00           H  
HETATM   40  H   UNL     1      10.747   2.288  -0.456  1.00  0.00           H  
HETATM   41  H   UNL     1       9.705   0.212  -1.146  1.00  0.00           H  
HETATM   42  H   UNL     1       7.824  -1.341  -0.832  1.00  0.00           H  
HETATM   43  H   UNL     1       2.717   1.329   1.583  1.00  0.00           H  
HETATM   44  H   UNL     1       0.617   2.607   1.528  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.465   1.538   0.825  1.00  0.00           H  
HETATM   46  H   UNL     1       4.197  -2.508   2.328  1.00  0.00           H  
HETATM   47  H   UNL     1       3.258  -1.203   3.094  1.00  0.00           H  
HETATM   48  H   UNL     1       2.425  -2.636   2.443  1.00  0.00           H  
HETATM   49  H   UNL     1       3.125  -2.001   0.150  1.00  0.00           H  
HETATM   50  H   UNL     1       5.489   1.852   0.825  1.00  0.00           H  
HETATM   51  H   UNL     1       7.380   3.390   0.498  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.724  -2.317   1.372  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.106  -1.737   0.978  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.241   0.159  -1.915  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.723  -0.834  -0.518  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.989   2.544  -1.662  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.627   2.177  -0.575  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.701   3.445   1.241  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.543   4.476  -0.202  1.00  0.00           H  
HETATM   60  H   UNL     1     -10.265   2.907   0.649  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.923   2.509   1.749  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.401   0.584   0.288  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.204   1.608  -1.156  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.684   0.418  -1.769  1.00  0.00           H  
HETATM   65  H   UNL     1       4.159   0.598   1.012  1.00  0.00           H  
HETATM   66  H   UNL     1      10.486   4.098  -2.020  1.00  0.00           H  
HETATM   67  H   UNL     1       9.684   2.757  -2.591  1.00  0.00           H  
HETATM   68  H   UNL     1       1.024  -3.109   0.018  1.00  0.00           H  
HETATM   69  HXT UNL     1      -1.438  -5.618  -1.161  1.00  0.00           H  
CONECT    1   14   31   39   40                                       
CONECT    2    3   14   14   41                                       
CONECT    3   11   11    2   42                                       
CONECT    4   29   29    5    9                                       
CONECT    5    6    6    4   43                                       
CONECT    6    7    5    5   44                                       
CONECT    7   15   15    6   45                                       
CONECT    8    9   46   47   48                                       
CONECT    9    4   30    8   49                                       
CONECT   10   35   35   11   30                                       
CONECT   11   10    3    3   12                                       
CONECT   12   11   13   13   50                                       
CONECT   13   14   12   12   51                                       
CONECT   14    2    2   13    1                                       
CONECT   15   16    7    7   29                                       
CONECT   16   17   27   27   15                                       
CONECT   17   26   26   18   16                                       
CONECT   18   19   19   17   52                                       
CONECT   19   20   18   18   53                                       
CONECT   20   21   33   33   19                                       
CONECT   21   32   20   54   55                                       
CONECT   22   23   32   56   57                                       
CONECT   23   36   22   58   59                                       
CONECT   24   25   36   60   61                                       
CONECT   25   24   32   62   63                                       
CONECT   26   33   17   17   64                                       
CONECT   27   28   16   16   34                                       
CONECT   28   37   37   27   38                                       
CONECT   29   15   34    4    4                                       
CONECT   30   10    9   65                                            
CONECT   31    1   66   67                                            
CONECT   32   25   22   21                                            
CONECT   33   20   20   26                                            
CONECT   34   27   29   68                                            
CONECT   35   10   10                                                 
CONECT   36   24   23                                                 
CONECT   37   28   28                                                 
CONECT   38   28   69                                                 
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   34                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
