COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.427   0.205   1.274  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.501   1.029   1.887  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.321   1.344   1.240  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.169  -0.310   0.017  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.988   0.004  -0.630  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.066   0.834  -0.020  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.779   1.178  -0.725  1.00  0.00           C  
HETATM    8  C   UNL     1       0.760  -1.541  -0.772  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.200  -0.603  -1.097  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.484  -0.709  -0.561  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.789  -1.765   0.301  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.821  -2.695   0.617  1.00  0.00           C  
HETATM   13  C   UNL     1       0.450  -2.584   0.082  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.516   0.291  -0.904  1.00  0.00           C  
HETATM   15  N   UNL     1       3.675   1.500   0.327  1.00  0.00           N  
HETATM   16  C   UNL     1       4.883   0.914   0.934  1.00  0.00           C  
HETATM   17  C   UNL     1       4.511  -0.460   1.502  1.00  0.00           C  
HETATM   18  C   UNL     1       3.682  -1.224   0.509  1.00  0.00           C  
HETATM   19  N   UNL     1       2.985  -0.623  -0.467  1.00  0.00           N  
HETATM   20  C   UNL     1       3.043   0.745  -0.646  1.00  0.00           C  
HETATM   21  N   UNL     1       2.528   1.309  -1.700  1.00  0.00           N  
HETATM   22  O   UNL     1       3.644  -2.433   0.590  1.00  0.00           O  
HETATM   23  C   UNL     1       2.145  -1.431  -1.354  1.00  0.00           C  
HETATM   24  C   UNL     1       5.971   0.755  -0.130  1.00  0.00           C  
HETATM   25  C   UNL     1       5.389   1.819   2.059  1.00  0.00           C  
HETATM   26  C   UNL     1       6.334   2.129  -0.697  1.00  0.00           C  
HETATM   27  C   UNL     1       7.212   0.119   0.499  1.00  0.00           C  
HETATM   28  O   UNL     1      -2.248   1.209  -1.654  1.00  0.00           O  
HETATM   29  N   UNL     1      -3.756   0.186  -0.385  1.00  0.00           N  
HETATM   30  H   UNL     1      -9.349  -0.041   1.779  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.701   1.427   2.871  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.598   1.988   1.718  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.890  -0.957  -0.460  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.787  -0.398  -1.612  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.944   1.175  -1.803  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.445   2.167  -0.411  1.00  0.00           H  
HETATM   37  H   UNL     1       0.043   0.211  -1.763  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.781  -1.852   0.719  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.056  -3.511   1.283  1.00  0.00           H  
HETATM   40  H   UNL     1       1.205  -3.315   0.333  1.00  0.00           H  
HETATM   41  H   UNL     1       5.421  -1.019   1.719  1.00  0.00           H  
HETATM   42  H   UNL     1       3.940  -0.328   2.420  1.00  0.00           H  
HETATM   43  H   UNL     1       2.578   2.271  -1.809  1.00  0.00           H  
HETATM   44  H   UNL     1       2.576  -2.427  -1.456  1.00  0.00           H  
HETATM   45  H   UNL     1       2.091  -0.957  -2.335  1.00  0.00           H  
HETATM   46  H   UNL     1       5.603   0.117  -0.933  1.00  0.00           H  
HETATM   47  H   UNL     1       4.615   1.919   2.820  1.00  0.00           H  
HETATM   48  H   UNL     1       6.282   1.381   2.504  1.00  0.00           H  
HETATM   49  H   UNL     1       5.630   2.802   1.654  1.00  0.00           H  
HETATM   50  H   UNL     1       6.788   2.737   0.087  1.00  0.00           H  
HETATM   51  H   UNL     1       7.041   2.009  -1.518  1.00  0.00           H  
HETATM   52  H   UNL     1       5.433   2.621  -1.062  1.00  0.00           H  
HETATM   53  H   UNL     1       6.953  -0.860   0.903  1.00  0.00           H  
HETATM   54  H   UNL     1       7.987   0.006  -0.259  1.00  0.00           H  
HETATM   55  H   UNL     1       7.580   0.757   1.303  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.970  -0.546   0.213  1.00  0.00           H  
HETATM   57  H   UNL     1       3.338   2.369   0.599  1.00  0.00           H  
CONECT    1    2    2    4   30                                       
CONECT    2    3    1    1   31                                       
CONECT    3    6    6    2   32                                       
CONECT    4    5    5    1   33                                       
CONECT    5    6    4    4   34                                       
CONECT    6    7    3    3    5                                       
CONECT    7   29    6   35   36                                       
CONECT    8   23   13   13    9                                       
CONECT    9    8   10   10   37                                       
CONECT   10    9    9   11   14                                       
CONECT   11   12   12   10   38                                       
CONECT   12   13   11   11   39                                       
CONECT   13    8    8   12   40                                       
CONECT   14   10   28   28   29                                       
CONECT   15   20   16   57                                            
CONECT   16   17   15   25   24                                       
CONECT   17   18   16   41   42                                       
CONECT   18   22   22   19   17                                       
CONECT   19   18   23   20                                            
CONECT   20   19   21   21   15                                       
CONECT   21   20   20   43                                            
CONECT   22   18   18                                                 
CONECT   23   19    8   44   45                                       
CONECT   24   16   27   26   46                                       
CONECT   25   16   47   48   49                                       
CONECT   26   24   50   51   52                                       
CONECT   27   24   53   54   55                                       
CONECT   28   14   14                                                 
CONECT   29   14    7   56                                            
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   17                                                      
CONECT   42   17                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   15                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
