COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.413   0.497   0.064  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.159  -0.373  -0.046  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.918   0.491   0.183  1.00  0.00           C  
HETATM    4  C   UNL     1     -11.235   0.856  -0.578  1.00  0.00           C  
HETATM    5  C   UNL     1     -12.529   0.175  -1.028  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.002  -0.220   1.290  1.00  0.00           C  
HETATM    7  C   UNL     1     -14.228  -1.398  -0.402  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.916  -1.913  -0.018  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.511   0.246   0.106  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.273  -0.583  -0.123  1.00  0.00           C  
HETATM   11  C   UNL     1       0.969   0.281   0.106  1.00  0.00           C  
HETATM   12  C   UNL     1       2.225  -0.560  -0.127  1.00  0.00           C  
HETATM   13  C   UNL     1       3.467   0.304   0.101  1.00  0.00           C  
HETATM   14  C   UNL     1       4.724  -0.537  -0.132  1.00  0.00           C  
HETATM   15  C   UNL     1       5.965   0.327   0.097  1.00  0.00           C  
HETATM   16  C   UNL     1       7.222  -0.514  -0.136  1.00  0.00           C  
HETATM   17  C   UNL     1       8.464   0.350   0.093  1.00  0.00           C  
HETATM   18  C   UNL     1       9.720  -0.492  -0.140  1.00  0.00           C  
HETATM   19  C   UNL     1      10.962   0.372   0.089  1.00  0.00           C  
HETATM   20  C   UNL     1      12.219  -0.469  -0.144  1.00  0.00           C  
HETATM   21  C   UNL     1      13.461   0.395   0.085  1.00  0.00           C  
HETATM   22  C   UNL     1      14.717  -0.446  -0.148  1.00  0.00           C  
HETATM   23  C   UNL     1      15.959   0.418   0.080  1.00  0.00           C  
HETATM   24  C   UNL     1      17.215  -0.424  -0.152  1.00  0.00           C  
HETATM   25  C   UNL     1      18.457   0.440   0.076  1.00  0.00           C  
HETATM   26  C   UNL     1      19.714  -0.401  -0.157  1.00  0.00           C  
HETATM   27  N   UNL     1     -12.919  -0.839  -0.040  1.00  0.00           N1+
HETATM   28  O   UNL     1      -5.209  -1.407   0.939  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.725  -0.307  -0.038  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.410   1.408   0.420  1.00  0.00           O  
HETATM   31  O   UNL     1      -9.012   1.138   1.409  1.00  0.00           O  
HETATM   32  O   UNL     1      -8.639   1.889  -0.971  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.565  -0.283  -0.264  1.00  0.00           O  
HETATM   34  O   UNL     1     -10.164  -0.090  -0.610  1.00  0.00           O  
HETATM   35  P   UNL     1      -8.840   0.690  -0.127  1.00  0.00           P  
HETATM   36  H   UNL     1      -6.507   0.872   1.083  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.335   1.337  -0.626  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.113  -0.820  -1.039  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.919   0.866   1.206  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.926   1.331  -0.512  1.00  0.00           H  
HETATM   41  H   UNL     1     -11.357   1.233   0.437  1.00  0.00           H  
HETATM   42  H   UNL     1     -11.008   1.684  -1.249  1.00  0.00           H  
HETATM   43  H   UNL     1     -13.320   0.920  -1.116  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.371  -0.302  -1.996  1.00  0.00           H  
HETATM   45  H   UNL     1     -13.745   0.577   1.274  1.00  0.00           H  
HETATM   46  H   UNL     1     -13.291  -0.972   2.024  1.00  0.00           H  
HETATM   47  H   UNL     1     -12.030   0.195   1.559  1.00  0.00           H  
HETATM   48  H   UNL     1     -14.167  -1.858  -1.388  1.00  0.00           H  
HETATM   49  H   UNL     1     -14.517  -2.151   0.332  1.00  0.00           H  
HETATM   50  H   UNL     1     -14.972  -0.601  -0.417  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.997  -1.542   0.435  1.00  0.00           H  
HETATM   52  H   UNL     1     -12.296  -2.752   0.564  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.713  -2.240  -1.038  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.271  -0.958  -1.147  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.264  -1.423   0.571  1.00  0.00           H  
HETATM   56  H   UNL     1       0.967   0.656   1.129  1.00  0.00           H  
HETATM   57  H   UNL     1       0.960   1.121  -0.589  1.00  0.00           H  
HETATM   58  H   UNL     1       2.227  -0.935  -1.151  1.00  0.00           H  
HETATM   59  H   UNL     1       2.234  -1.400   0.567  1.00  0.00           H  
HETATM   60  H   UNL     1       3.465   0.679   1.125  1.00  0.00           H  
HETATM   61  H   UNL     1       3.458   1.144  -0.593  1.00  0.00           H  
HETATM   62  H   UNL     1       4.725  -0.912  -1.155  1.00  0.00           H  
HETATM   63  H   UNL     1       4.732  -1.377   0.563  1.00  0.00           H  
HETATM   64  H   UNL     1       5.964   0.702   1.121  1.00  0.00           H  
HETATM   65  H   UNL     1       5.957   1.167  -0.597  1.00  0.00           H  
HETATM   66  H   UNL     1       7.224  -0.889  -1.159  1.00  0.00           H  
HETATM   67  H   UNL     1       7.231  -1.354   0.559  1.00  0.00           H  
HETATM   68  H   UNL     1       8.462   0.724   1.116  1.00  0.00           H  
HETATM   69  H   UNL     1       8.455   1.189  -0.602  1.00  0.00           H  
HETATM   70  H   UNL     1       9.722  -0.867  -1.163  1.00  0.00           H  
HETATM   71  H   UNL     1       9.729  -1.332   0.555  1.00  0.00           H  
HETATM   72  H   UNL     1      10.961   0.747   1.112  1.00  0.00           H  
HETATM   73  H   UNL     1      10.953   1.212  -0.606  1.00  0.00           H  
HETATM   74  H   UNL     1      12.220  -0.844  -1.168  1.00  0.00           H  
HETATM   75  H   UNL     1      12.228  -1.309   0.551  1.00  0.00           H  
HETATM   76  H   UNL     1      13.459   0.770   1.108  1.00  0.00           H  
HETATM   77  H   UNL     1      13.452   1.235  -0.610  1.00  0.00           H  
HETATM   78  H   UNL     1      14.719  -0.821  -1.172  1.00  0.00           H  
HETATM   79  H   UNL     1      14.726  -1.286   0.546  1.00  0.00           H  
HETATM   80  H   UNL     1      15.957   0.793   1.104  1.00  0.00           H  
HETATM   81  H   UNL     1      15.950   1.258  -0.614  1.00  0.00           H  
HETATM   82  H   UNL     1      17.217  -0.798  -1.176  1.00  0.00           H  
HETATM   83  H   UNL     1      17.224  -1.263   0.542  1.00  0.00           H  
HETATM   84  H   UNL     1      18.456   0.815   1.100  1.00  0.00           H  
HETATM   85  H   UNL     1      18.449   1.280  -0.618  1.00  0.00           H  
HETATM   86  H   UNL     1      20.599   0.215   0.006  1.00  0.00           H  
HETATM   87  H   UNL     1      19.723  -1.241   0.538  1.00  0.00           H  
HETATM   88  H   UNL     1      19.716  -0.776  -1.180  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.248  -0.970   1.801  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.141   0.329   1.924  1.00  0.00           H  
CONECT    1    2   33   36   37                                       
CONECT    2    1    3   28   38                                       
CONECT    3    2   29   39   40                                       
CONECT    4    5   34   41   42                                       
CONECT    5    4   27   43   44                                       
CONECT    6   27   45   46   47                                       
CONECT    7   27   48   49   50                                       
CONECT    8   27   51   52   53                                       
CONECT    9   10   29   30   30                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   15   62   63                                       
CONECT   15   14   16   64   65                                       
CONECT   16   15   17   66   67                                       
CONECT   17   16   18   68   69                                       
CONECT   18   17   19   70   71                                       
CONECT   19   18   20   72   73                                       
CONECT   20   19   21   74   75                                       
CONECT   21   20   22   76   77                                       
CONECT   22   21   23   78   79                                       
CONECT   23   22   24   80   81                                       
CONECT   24   23   25   82   83                                       
CONECT   25   24   26   84   85                                       
CONECT   26   25   86   87   88                                       
CONECT   27    5    6    7    8                                       
CONECT   28    2   89                                                 
CONECT   29    3    9                                                 
CONECT   30    9    9                                                 
CONECT   31   35   90                                                 
CONECT   32   35   35                                                 
CONECT   33    1   35                                                 
CONECT   34    4   35                                                 
CONECT   35   31   32   32   33                                       
CONECT   35   34                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   14                                                      
CONECT   63   14                                                      
CONECT   64   15                                                      
CONECT   65   15                                                      
CONECT   66   16                                                      
CONECT   67   16                                                      
CONECT   68   17                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   31                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
