COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.129  -0.714  -1.381  1.00  0.00           C  
HETATM    2  N   UNL     1       2.164  -0.687  -0.271  1.00  0.00           N  
HETATM    3  C   UNL     1       0.959  -1.269  -0.498  1.00  0.00           C  
HETATM    4  C   UNL     1       0.892  -2.431   0.199  1.00  0.00           C  
HETATM    5  C   UNL     1       2.095  -2.589   0.890  1.00  0.00           C  
HETATM    6  C   UNL     1       2.887  -1.492   0.583  1.00  0.00           C  
HETATM    7  C   UNL     1       2.467  -3.738   1.791  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.275  -3.384   0.223  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.116  -4.414  -0.896  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.283  -5.367  -0.872  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.153  -5.235  -0.043  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.356  -6.362  -1.769  1.00  0.00           O  
HETATM   13  C   UNL     1       4.189  -1.242   1.064  1.00  0.00           C  
HETATM   14  N   UNL     1       4.710   0.341  -0.764  1.00  0.00           N  
HETATM   15  C   UNL     1       4.991  -0.311   0.434  1.00  0.00           C  
HETATM   16  C   UNL     1       6.241   0.154   0.887  1.00  0.00           C  
HETATM   17  C   UNL     1       6.693   1.061  -0.023  1.00  0.00           C  
HETATM   18  C   UNL     1       5.735   1.166  -1.047  1.00  0.00           C  
HETATM   19  C   UNL     1       6.949  -0.275   2.146  1.00  0.00           C  
HETATM   20  C   UNL     1       7.994   1.818   0.053  1.00  0.00           C  
HETATM   21  C   UNL     1       9.062   1.078  -0.756  1.00  0.00           C  
HETATM   22  O   UNL     1       5.817   1.890  -2.026  1.00  0.00           O  
HETATM   23  N   UNL     1      -5.161   1.444  -0.651  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.291   1.804  -1.274  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.463   1.513  -0.359  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.779   0.923   0.893  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.310   0.954   0.530  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.213   2.801  -0.012  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.248  -0.512   1.139  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.748  -0.513   1.442  1.00  0.00           C  
HETATM   31  O   UNL     1      -6.364   2.284  -2.386  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.189   0.482   1.419  1.00  0.00           C  
HETATM   33  N   UNL     1      -2.270  -0.410  -0.017  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.881   0.591   0.679  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.112   1.695   0.591  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.986   1.364  -0.189  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.107   0.068  -0.542  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.403   3.037   1.211  1.00  0.00           C  
HETATM   39  C   UNL     1       0.148   2.286  -0.555  1.00  0.00           C  
HETATM   40  C   UNL     1       1.241   2.200   0.513  1.00  0.00           C  
HETATM   41  C   UNL     1       2.375   3.122   0.147  1.00  0.00           C  
HETATM   42  O   UNL     1       3.451   3.213   0.945  1.00  0.00           O  
HETATM   43  O   UNL     1       2.316   3.781  -0.864  1.00  0.00           O  
HETATM   44  H   UNL     1       0.312  -0.058  -2.131  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.649  -1.534  -1.875  1.00  0.00           H  
HETATM   46  H   UNL     1       2.467   0.153  -0.649  1.00  0.00           H  
HETATM   47  H   UNL     1       2.168  -3.509   2.814  1.00  0.00           H  
HETATM   48  H   UNL     1       1.957  -4.641   1.457  1.00  0.00           H  
HETATM   49  H   UNL     1       3.545  -3.895   1.754  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.307  -3.895   1.186  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.201  -2.828   0.076  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.084  -3.904  -1.858  1.00  0.00           H  
HETATM   53  H   UNL     1       0.810  -4.970  -0.749  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.124  -6.948  -1.714  1.00  0.00           H  
HETATM   55  H   UNL     1       4.559  -1.779   1.925  1.00  0.00           H  
HETATM   56  H   UNL     1       3.913   0.218  -1.304  1.00  0.00           H  
HETATM   57  H   UNL     1       6.343  -1.014   2.670  1.00  0.00           H  
HETATM   58  H   UNL     1       7.914  -0.713   1.890  1.00  0.00           H  
HETATM   59  H   UNL     1       7.103   0.591   2.789  1.00  0.00           H  
HETATM   60  H   UNL     1       7.857   2.819  -0.356  1.00  0.00           H  
HETATM   61  H   UNL     1       8.312   1.890   1.093  1.00  0.00           H  
HETATM   62  H   UNL     1       8.744   1.005  -1.796  1.00  0.00           H  
HETATM   63  H   UNL     1      10.003   1.625  -0.701  1.00  0.00           H  
HETATM   64  H   UNL     1       9.199   0.077  -0.347  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.137   0.787  -0.813  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.973   1.546   1.766  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.608   3.249  -0.924  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.035   2.572   0.666  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.529   3.501   0.469  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.056  -1.114   0.251  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.705  -0.931   1.987  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.062  -1.520   1.717  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.952   0.169   2.267  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.297  -0.190   0.558  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.151   1.101   2.316  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.361  -0.557   1.701  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.607  -1.314  -0.119  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.969   3.078   2.210  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.970   3.825   0.595  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.482   3.180   1.278  1.00  0.00           H  
HETATM   81  H   UNL     1       0.560   1.990  -1.520  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.221   3.310  -0.615  1.00  0.00           H  
HETATM   83  H   UNL     1       0.829   2.496   1.478  1.00  0.00           H  
HETATM   84  H   UNL     1       1.610   1.176   0.574  1.00  0.00           H  
HETATM   85  H   UNL     1       4.153   3.818   0.668  1.00  0.00           H  
CONECT    1    3   37   44   45                                       
CONECT    2    6    3   46                                            
CONECT    3    4    4    2    1                                       
CONECT    4    5    8    3    3                                       
CONECT    5    7    6    6    4                                       
CONECT    6   13    5    5    2                                       
CONECT    7    5   47   48   49                                       
CONECT    8    4    9   50   51                                       
CONECT    9   10    8   52   53                                       
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   10   54                                                 
CONECT   13   15   15    6   55                                       
CONECT   14   18   15   56                                            
CONECT   15   14   16   13   13                                       
CONECT   16   17   17   15   19                                       
CONECT   17   20   18   16   16                                       
CONECT   18   22   22   17   14                                       
CONECT   19   16   57   58   59                                       
CONECT   20   21   17   60   61                                       
CONECT   21   20   62   63   64                                       
CONECT   22   18   18                                                 
CONECT   23   27   27   24                                            
CONECT   24   23   25   31   31                                       
CONECT   25   26   28   24   65                                       
CONECT   26   29   27   25   66                                       
CONECT   27   32   26   23   23                                       
CONECT   28   25   67   68   69                                       
CONECT   29   30   26   70   71                                       
CONECT   30   29   72   73   74                                       
CONECT   31   24   24                                                 
CONECT   32   34   27   75   76                                       
CONECT   33   37   34   77                                            
CONECT   34   33   32   35   35                                       
CONECT   35   34   34   36   38                                       
CONECT   36   37   37   39   35                                       
CONECT   37    1   33   36   36                                       
CONECT   38   35   78   79   80                                       
CONECT   39   36   40   81   82                                       
CONECT   40   39   41   83   84                                       
CONECT   41   43   43   40   42                                       
CONECT   42   41   85                                                 
CONECT   43   41   41                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   38                                                      
CONECT   81   39                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   40                                                      
CONECT   85   42                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
