COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.875   3.685   0.132  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.878   2.529   0.136  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.873   0.086   0.447  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.726  -1.193   0.698  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.577  -1.916  -2.505  1.00  0.00           C  
HETATM    6  C   UNL     1       1.429  -2.135   0.060  1.00  0.00           C  
HETATM    7  C   UNL     1       1.712  -2.698   1.454  1.00  0.00           C  
HETATM    8  C   UNL     1       3.824  -1.515   1.566  1.00  0.00           C  
HETATM    9  C   UNL     1       4.265   0.436   0.099  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.265   7.357  -0.389  1.00  0.00           C  
HETATM   11  O   UNL     1      -1.677   6.078  -0.143  1.00  0.00           O  
HETATM   12  C   UNL     1      -2.613   4.998  -0.139  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.172   1.272   0.396  1.00  0.00           N  
HETATM   14  N   UNL     1      -4.199   0.078   0.356  1.00  0.00           N  
HETATM   15  C   UNL     1      -4.872  -1.053   0.404  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.276  -2.221   0.544  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.961  -2.312   0.643  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.196  -1.143   0.592  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.153  -0.513   1.528  1.00  0.00           O  
HETATM   20  N   UNL     1      -0.018  -1.991  -0.125  1.00  0.00           N  
HETATM   21  C   UNL     1      -0.693  -2.714  -1.205  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.190  -2.719  -3.654  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.322  -0.588  -2.356  1.00  0.00           C  
HETATM   24  N   UNL     1       3.162  -2.823   1.648  1.00  0.00           N  
HETATM   25  C   UNL     1       3.604  -0.916   0.175  1.00  0.00           C  
HETATM   26  C   UNL     1       2.101  -0.766  -0.078  1.00  0.00           C  
HETATM   27  O   UNL     1       3.652   1.429   0.429  1.00  0.00           O  
HETATM   28  N   UNL     1       5.536   0.541  -0.335  1.00  0.00           N  
HETATM   29  C   UNL     1       6.262  -0.633  -0.844  1.00  0.00           C  
HETATM   30  C   UNL     1       7.617  -0.710  -0.130  1.00  0.00           C  
HETATM   31  O   UNL     1       8.284   0.549  -0.249  1.00  0.00           O  
HETATM   32  C   UNL     1       7.595   1.637   0.372  1.00  0.00           C  
HETATM   33  C   UNL     1       6.237   1.835  -0.321  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.375  -1.010   0.296  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.773  -0.382  -1.041  1.00  0.00           C  
HETATM   36  C   UNL     1      -6.932  -2.433   0.377  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.945  -0.173   1.443  1.00  0.00           C  
HETATM   38  H   UNL     1      -1.380   3.740   1.101  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.132   3.519  -0.647  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.621   2.696   0.915  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.373   2.474  -0.833  1.00  0.00           H  
HETATM   42  H   UNL     1       0.474  -1.721  -2.718  1.00  0.00           H  
HETATM   43  H   UNL     1       1.826  -2.813  -0.694  1.00  0.00           H  
HETATM   44  H   UNL     1       1.302  -2.026   2.208  1.00  0.00           H  
HETATM   45  H   UNL     1       1.246  -3.679   1.551  1.00  0.00           H  
HETATM   46  H   UNL     1       3.404  -0.848   2.319  1.00  0.00           H  
HETATM   47  H   UNL     1       4.892  -1.637   1.744  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.754   7.351  -1.364  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.002   7.573   0.385  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.490   8.122  -0.376  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.108   4.943  -1.109  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.356   5.165   0.640  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.211   1.274   0.532  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.484  -3.274   0.757  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.745  -2.845  -0.952  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.227  -3.691  -1.335  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.107  -2.150  -4.580  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.659  -3.665  -3.759  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.241  -2.914  -3.440  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.385  -0.781  -2.213  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.932  -0.047  -1.494  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.180   0.011  -3.256  1.00  0.00           H  
HETATM   63  H   UNL     1       3.372  -3.281   2.522  1.00  0.00           H  
HETATM   64  H   UNL     1       4.036  -1.576  -0.577  1.00  0.00           H  
HETATM   65  H   UNL     1       1.939  -0.380  -1.085  1.00  0.00           H  
HETATM   66  H   UNL     1       1.676  -0.076   0.650  1.00  0.00           H  
HETATM   67  H   UNL     1       5.688  -1.537  -0.639  1.00  0.00           H  
HETATM   68  H   UNL     1       6.418  -0.532  -1.918  1.00  0.00           H  
HETATM   69  H   UNL     1       7.461  -0.942   0.924  1.00  0.00           H  
HETATM   70  H   UNL     1       8.226  -1.490  -0.589  1.00  0.00           H  
HETATM   71  H   UNL     1       7.439   1.414   1.427  1.00  0.00           H  
HETATM   72  H   UNL     1       8.188   2.546   0.275  1.00  0.00           H  
HETATM   73  H   UNL     1       6.390   2.180  -1.343  1.00  0.00           H  
HETATM   74  H   UNL     1       5.646   2.566   0.229  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.367  -0.978  -1.858  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.860  -0.351  -1.119  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.376   0.632  -1.098  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.526  -3.029  -0.440  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.649  -2.881   1.329  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.019  -2.402   0.299  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.032  -0.143   1.365  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.662  -0.621   2.395  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.548   0.840   1.385  1.00  0.00           H  
CONECT    1    2   12   38   39                                       
CONECT    2   13    1   40   41                                       
CONECT    3   14   18   18   13                                       
CONECT    4   18   19   19   20                                       
CONECT    5   21   23   22   42                                       
CONECT    6   20   26    7   43                                       
CONECT    7    6   24   44   45                                       
CONECT    8   25   24   46   47                                       
CONECT    9   27   27   25   28                                       
CONECT   10   11   48   49   50                                       
CONECT   11   12   10                                                 
CONECT   12    1   11   51   52                                       
CONECT   13    3    2   53                                            
CONECT   14   15   15    3                                            
CONECT   15   34   16   14   14                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16   18   54                                       
CONECT   18   17    3    3    4                                       
CONECT   19    4    4                                                 
CONECT   20    4    6   21                                            
CONECT   21   20    5   55   56                                       
CONECT   22    5   57   58   59                                       
CONECT   23    5   60   61   62                                       
CONECT   24    7    8   63                                            
CONECT   25   26    9    8   64                                       
CONECT   26    6   25   65   66                                       
CONECT   27    9    9                                                 
CONECT   28    9   29   33                                            
CONECT   29   28   30   67   68                                       
CONECT   30   29   31   69   70                                       
CONECT   31   30   32                                                 
CONECT   32   33   31   71   72                                       
CONECT   33   28   32   73   74                                       
CONECT   34   37   35   15   36                                       
CONECT   35   34   75   76   77                                       
CONECT   36   34   78   79   80                                       
CONECT   37   34   81   82   83                                       
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    2                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   17                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   26                                                      
CONECT   66   26                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   30                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   35                                                      
CONECT   77   35                                                      
CONECT   78   36                                                      
CONECT   79   36                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
MASTER        0    0    0    0    0    0    0    0   83    0   83    0
END
