COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  CA  UNL     1       1.938  -5.427   0.357  1.00  0.00           C  
HETATM    2  C   UNL     1       2.935  -6.039   1.308  1.00  0.00           C  
HETATM    3  C   UNL     1       1.423  -4.108   0.938  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.790  -3.550  -0.081  1.00  0.00           C  
HETATM    5  O   UNL     1       2.594  -6.931   2.049  1.00  0.00           O  
HETATM    6  N   UNL     1       0.812  -6.351   0.166  1.00  0.00           N  
HETATM    7  C   UNL     1      -2.772  -2.691  -1.456  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.349  -2.806  -1.128  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.229  -2.162  -1.832  1.00  0.00           C  
HETATM   10  N   UNL     1       0.969  -2.605  -1.100  1.00  0.00           N  
HETATM   11  C   UNL     1       0.521  -3.436  -0.066  1.00  0.00           C  
HETATM   12  C   UNL     1       2.358  -2.247  -1.396  1.00  0.00           C  
HETATM   13  C   UNL     1       2.732  -0.978  -0.627  1.00  0.00           C  
HETATM   14  C   UNL     1       4.183  -0.604  -0.937  1.00  0.00           C  
HETATM   15  C   UNL     1       4.558   0.665  -0.168  1.00  0.00           C  
HETATM   16  C   UNL     1       6.009   1.039  -0.477  1.00  0.00           C  
HETATM   17  C   UNL     1       6.383   2.307   0.292  1.00  0.00           C  
HETATM   18  C   UNL     1       7.834   2.682  -0.017  1.00  0.00           C  
HETATM   19  C   UNL     1       8.209   3.950   0.752  1.00  0.00           C  
HETATM   20  C   UNL     1       9.638   4.319   0.447  1.00  0.00           C  
HETATM   21  C   UNL     1       9.924   5.156  -0.615  1.00  0.00           C  
HETATM   22  C   UNL     1      11.235   5.494  -0.894  1.00  0.00           C  
HETATM   23  C   UNL     1      12.260   4.995  -0.112  1.00  0.00           C  
HETATM   24  C   UNL     1      11.973   4.159   0.951  1.00  0.00           C  
HETATM   25  C   UNL     1      10.662   3.824   1.233  1.00  0.00           C  
HETATM   26  C   UNL     1     -13.203   3.826   0.621  1.00  0.00           C  
HETATM   27  O   UNL     1     -13.711   3.043  -0.148  1.00  0.00           O  
HETATM   28  C   UNL     1     -11.740   3.707   0.959  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.135   2.524   0.201  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.649   2.404   0.544  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.044   1.220  -0.213  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.558   1.100   0.130  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.954  -0.084  -0.628  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.468  -0.204  -0.284  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.863  -1.387  -1.042  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.377  -1.508  -0.699  1.00  0.00           C  
HETATM   37  HA  UNL     1       2.420  -5.238  -0.602  1.00  0.00           H  
HETATM   38  H   UNL     1       0.864  -4.308   1.852  1.00  0.00           H  
HETATM   39  H   UNL     1       2.266  -3.456   1.162  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.360  -4.137   0.624  1.00  0.00           H  
HETATM   41  H1  UNL     1       1.117  -7.206  -0.276  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.885  -2.532  -2.529  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.287  -3.608  -1.169  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.188  -2.497  -2.868  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.324  -1.077  -1.786  1.00  0.00           H  
HETATM   46  H   UNL     1       3.016  -3.062  -1.095  1.00  0.00           H  
HETATM   47  H   UNL     1       2.467  -2.069  -2.466  1.00  0.00           H  
HETATM   48  H   UNL     1       2.075  -0.163  -0.929  1.00  0.00           H  
HETATM   49  H   UNL     1       2.623  -1.156   0.442  1.00  0.00           H  
HETATM   50  H   UNL     1       4.841  -1.419  -0.635  1.00  0.00           H  
HETATM   51  H   UNL     1       4.292  -0.426  -2.006  1.00  0.00           H  
HETATM   52  H   UNL     1       3.900   1.480  -0.469  1.00  0.00           H  
HETATM   53  H   UNL     1       4.449   0.487   0.902  1.00  0.00           H  
HETATM   54  H   UNL     1       6.667   0.224  -0.175  1.00  0.00           H  
HETATM   55  H   UNL     1       6.118   1.217  -1.547  1.00  0.00           H  
HETATM   56  H   UNL     1       5.726   3.123  -0.009  1.00  0.00           H  
HETATM   57  H   UNL     1       6.274   2.129   1.362  1.00  0.00           H  
HETATM   58  H   UNL     1       8.492   1.867   0.284  1.00  0.00           H  
HETATM   59  H   UNL     1       7.943   2.860  -1.087  1.00  0.00           H  
HETATM   60  H   UNL     1       7.551   4.766   0.450  1.00  0.00           H  
HETATM   61  H   UNL     1       8.100   3.772   1.822  1.00  0.00           H  
HETATM   62  H   UNL     1       9.124   5.546  -1.227  1.00  0.00           H  
HETATM   63  H   UNL     1      11.459   6.148  -1.725  1.00  0.00           H  
HETATM   64  H   UNL     1      13.284   5.259  -0.330  1.00  0.00           H  
HETATM   65  H   UNL     1      12.774   3.769   1.562  1.00  0.00           H  
HETATM   66  H   UNL     1      10.438   3.174   2.066  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.225   4.624   0.671  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.626   3.548   2.031  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.650   1.607   0.489  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.248   2.683  -0.871  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.134   3.320   0.257  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.535   2.245   1.617  1.00  0.00           H  
HETATM   73  H   UNL     1      -9.559   0.303   0.074  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.158   1.379  -1.286  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.044   2.017  -0.158  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.445   0.941   1.202  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.468  -1.000  -0.340  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.067   0.075  -1.700  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.953   0.713  -0.572  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.354  -0.363   0.788  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.378  -2.304  -0.754  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.976  -1.228  -2.114  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.263  -1.666   0.374  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.862  -0.591  -0.986  1.00  0.00           H  
HETATM   85  OXT UNL     1       4.201  -5.593   1.332  1.00  0.00           O  
HETATM   86  HXT UNL     1       4.803  -6.017   1.958  1.00  0.00           H  
HETATM   87  O   UNL     1     -13.943   4.800   1.173  1.00  0.00           O  
HETATM   88  H   UNL     1     -14.877   4.835   0.925  1.00  0.00           H  
HETATM   89  H2  UNL     1       0.349  -6.542   1.042  1.00  0.00           H  
CONECT    1    2    6    3   37                                       
CONECT    2    5    5    1   85                                       
CONECT    3    1   11   38   39                                       
CONECT    4    8   11   11   40                                       
CONECT    5    2    2                                                 
CONECT    6    1   41   89                                            
CONECT    7   36    8   42   43                                       
CONECT    8    7    4    9                                            
CONECT    9    8   10   44   45                                       
CONECT   10   11    9   12                                            
CONECT   11    4    4    3   10                                       
CONECT   12   10   13   46   47                                       
CONECT   13   12   14   48   49                                       
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   19   58   59                                       
CONECT   19   18   20   60   61                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   62                                       
CONECT   22   21   23   23   63                                       
CONECT   23   22   22   24   64                                       
CONECT   24   25   25   23   65                                       
CONECT   25   20   24   24   66                                       
CONECT   26   28   27   27   87                                       
CONECT   27   26   26                                                 
CONECT   28   29   26   67   68                                       
CONECT   29   30   28   69   70                                       
CONECT   30   31   29   71   72                                       
CONECT   31   32   30   73   74                                       
CONECT   32   31   33   75   76                                       
CONECT   33   34   32   77   78                                       
CONECT   34   35   33   79   80                                       
CONECT   35   34   36   81   82                                       
CONECT   36   35    7   83   84                                       
CONECT   37    1                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    9                                                      
CONECT   45    9                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85    2   86                                                 
CONECT   86   85                                                      
CONECT   87   26   88                                                 
CONECT   88   87                                                      
CONECT   89    6                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
