COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.189   0.984  -0.007  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.352   0.356  -1.506  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.360  -0.763  -1.172  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.304  -0.225  -0.208  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.291   0.716  -0.874  1.00  0.00           C  
HETATM    6  C   UNL     1       0.582  -0.414   0.194  1.00  0.00           C  
HETATM    7  C   UNL     1       0.803  -1.801   0.801  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.318  -2.107   1.796  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.167  -3.540   2.310  1.00  0.00           C  
HETATM   10  C   UNL     1       1.749  -0.062  -0.692  1.00  0.00           C  
HETATM   11  C   UNL     1       4.126   0.346  -1.037  1.00  0.00           C  
HETATM   12  C   UNL     1       5.178   1.099  -0.220  1.00  0.00           C  
HETATM   13  C   UNL     1       4.591   2.425   0.269  1.00  0.00           C  
HETATM   14  C   UNL     1       5.612   3.188   1.084  1.00  0.00           C  
HETATM   15  O   UNL     1       6.317   2.704   1.944  1.00  0.00           O  
HETATM   16  S   UNL     1       5.179  -2.049  -0.240  1.00  0.00           S  
HETATM   17  C   UNL     1      -1.838  -0.205   0.000  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.970  -0.209  -0.729  1.00  0.00           O  
HETATM   19  C   UNL     1       4.646   4.742  -0.347  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.213   0.029  -0.018  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.235  -1.133   2.973  1.00  0.00           C  
HETATM   22  C   UNL     1       4.287   3.356  -0.927  1.00  0.00           C  
HETATM   23  C   UNL     1       4.741  -0.935  -1.603  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.141  -1.197   0.029  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.901   0.336   1.081  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.897   1.448   0.732  1.00  0.00           C  
HETATM   27  N   UNL     1     -11.305   1.029   0.199  1.00  0.00           N  
HETATM   28  N   UNL     1      -8.857   0.931  -0.252  1.00  0.00           N  
HETATM   29  N   UNL     1      -0.650  -0.419  -0.599  1.00  0.00           N  
HETATM   30  N   UNL     1       2.992   0.004  -0.175  1.00  0.00           N  
HETATM   31  N   UNL     1       5.626   4.481   0.715  1.00  0.00           N  
HETATM   32  O   UNL     1       3.797  -1.579  -2.460  1.00  0.00           O  
HETATM   33  O   UNL     1       1.569   0.163  -1.870  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.888  -0.007   1.198  1.00  0.00           O  
HETATM   35  O   UNL     1       5.774  -3.271  -0.925  1.00  0.00           O  
HETATM   36  H   UNL     1      -7.849   1.130  -2.086  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.182  -0.051  -2.084  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.891  -1.593  -0.704  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.878  -1.108  -2.087  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.173   0.545  -1.944  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.443   1.766  -0.627  1.00  0.00           H  
HETATM   42  H   UNL     1       0.497   0.323   0.993  1.00  0.00           H  
HETATM   43  H   UNL     1       0.800  -2.549   0.009  1.00  0.00           H  
HETATM   44  H   UNL     1       1.763  -1.823   1.317  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.283  -1.998   1.301  1.00  0.00           H  
HETATM   46  H   UNL     1       0.798  -3.649   2.805  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.966  -3.758   3.019  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.226  -4.235   1.472  1.00  0.00           H  
HETATM   49  H   UNL     1       3.782   0.978  -1.856  1.00  0.00           H  
HETATM   50  H   UNL     1       5.473   0.495   0.638  1.00  0.00           H  
HETATM   51  H   UNL     1       6.050   1.296  -0.843  1.00  0.00           H  
HETATM   52  H   UNL     1       3.688   2.249   0.854  1.00  0.00           H  
HETATM   53  H   UNL     1       5.086   5.373  -1.119  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.061   0.500   0.954  1.00  0.00           H  
HETATM   55  H   UNL     1       0.729  -1.241   3.468  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.343  -0.111   2.607  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.034  -1.350   3.682  1.00  0.00           H  
HETATM   58  H   UNL     1       4.922   3.115  -1.780  1.00  0.00           H  
HETATM   59  H   UNL     1       5.638  -0.687  -2.172  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.172  -1.686   1.003  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.982  -1.897  -0.792  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.417  -0.459   1.619  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.105   0.741   1.705  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.427   1.760   1.631  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.361   2.298   0.308  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.610  -0.577  -1.555  1.00  0.00           H  
HETATM   67  H   UNL     1       3.135  -0.176   0.767  1.00  0.00           H  
HETATM   68  H   UNL     1       6.208   5.154   1.100  1.00  0.00           H  
HETATM   69  H   UNL     1       2.973  -1.828  -2.020  1.00  0.00           H  
HETATM   70  H   UNL     1       6.058  -3.965  -0.315  1.00  0.00           H  
HETATM   71  O   UNL     1       6.256  -1.513   0.516  1.00  0.00           O  
HETATM   72  O   UNL     1       4.008  -2.540   0.398  1.00  0.00           O  
HETATM   73  H   UNL     1       3.758   5.219   0.068  1.00  0.00           H  
HETATM   74  H   UNL     1       3.234   3.309  -1.201  1.00  0.00           H  
CONECT    1   27   27   27   28                                       
CONECT    2   28    3   36   37                                       
CONECT    3    4    2   38   39                                       
CONECT    4   25   24    3    5                                       
CONECT    5    4   20   40   41                                       
CONECT    6   29   10    7   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    9    7   21   45                                       
CONECT    9    8   46   47   48                                       
CONECT   10    6   30   33   33                                       
CONECT   11   12   30   23   49                                       
CONECT   12   13   11   50   51                                       
CONECT   13   14   12   22   52                                       
CONECT   14   15   15   31   13                                       
CONECT   15   14   14                                                 
CONECT   16   23   35   71   71                                       
CONECT   16   72   72                                                 
CONECT   17   34   34   18   29                                       
CONECT   18   20   17                                                 
CONECT   19   31   22   53   73                                       
CONECT   20   24    5   18   54                                       
CONECT   21    8   55   56   57                                       
CONECT   22   13   19   58   74                                       
CONECT   23   16   11   32   59                                       
CONECT   24    4   20   60   61                                       
CONECT   25   26    4   62   63                                       
CONECT   26   25   28   64   65                                       
CONECT   27    1    1    1                                            
CONECT   28   26    1    2                                            
CONECT   29   17    6   66                                            
CONECT   30   11   10   67                                            
CONECT   31   14   19   68                                            
CONECT   32   23   69                                                 
CONECT   33   10   10                                                 
CONECT   34   17   17                                                 
CONECT   35   16   70                                                 
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    3                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48    9                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   35                                                      
CONECT   71   16   16                                                 
CONECT   72   16   16                                                 
CONECT   73   19                                                      
CONECT   74   22                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
