COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.579  -6.897  -0.963  1.00  0.00           S  
HETATM    2  C   UNL     1      -1.119  -7.863  -1.453  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.228  -6.863  -2.173  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.495  -5.525  -1.641  1.00  0.00           N  
HETATM    5  C   UNL     1      -1.713  -5.392  -1.007  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.132  -4.223  -0.483  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.216  -3.060  -0.575  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.020  -3.162  -1.201  1.00  0.00           C  
HETATM    9  C   UNL     1       0.413  -4.487  -1.774  1.00  0.00           C  
HETATM   10  O   UNL     1       1.511  -4.601  -2.318  1.00  0.00           O  
HETATM   11  C   UNL     1       0.962  -2.041  -1.412  1.00  0.00           C  
HETATM   12  N   UNL     1       1.422  -2.124  -2.796  1.00  0.00           N  
HETATM   13  C   UNL     1       0.295  -1.987  -3.729  1.00  0.00           C  
HETATM   14  C   UNL     1       0.800  -2.066  -5.167  1.00  0.00           C  
HETATM   15  O   UNL     1       1.773  -1.049  -5.408  1.00  0.00           O  
HETATM   16  C   UNL     1       2.888  -1.194  -4.527  1.00  0.00           C  
HETATM   17  C   UNL     1       2.433  -1.095  -3.074  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.667  -1.778   0.090  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.540  -1.846   1.581  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.527  -2.652   2.100  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.358  -2.756   3.478  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.201  -2.054   4.340  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.225  -1.238   3.834  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.083  -0.525   4.688  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.095   0.282   4.167  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.265   0.386   2.790  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.422  -0.316   1.927  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.398  -1.132   2.433  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.444  -4.018   0.195  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.669  -4.365  -0.564  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.314  -2.929  -0.311  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.524  -6.814  -3.646  1.00  0.00           C  
HETATM   33  O   UNL     1       0.282  -7.667  -4.324  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.373  -6.108  -4.168  1.00  0.00           O  
HETATM   35  H   UNL     1      -1.401  -8.721  -2.070  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.632  -8.224  -0.541  1.00  0.00           H  
HETATM   37  H   UNL     1       0.833  -7.111  -2.059  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.398  -4.214   1.244  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.702  -1.590  -0.195  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.074  -0.959  -0.316  1.00  0.00           H  
HETATM   41  H   UNL     1       1.786  -2.174  -0.716  1.00  0.00           H  
HETATM   42  H   UNL     1       0.452  -1.100  -1.224  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.211  -1.026  -3.570  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.435  -2.787  -3.561  1.00  0.00           H  
HETATM   45  H   UNL     1       3.300  -1.231  -2.417  1.00  0.00           H  
HETATM   46  H   UNL     1       2.017  -0.096  -2.885  1.00  0.00           H  
HETATM   47  H   UNL     1       1.234  -3.048  -5.390  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.029  -1.904  -5.863  1.00  0.00           H  
HETATM   49  H   UNL     1       3.596  -0.389  -4.751  1.00  0.00           H  
HETATM   50  H   UNL     1       3.393  -2.146  -4.729  1.00  0.00           H  
HETATM   51  H   UNL     1       0.135  -3.204   1.439  1.00  0.00           H  
HETATM   52  H   UNL     1       0.430  -3.385   3.882  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.049  -2.151   5.414  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.969  -0.592   5.767  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.752   0.828   4.838  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.054   1.014   2.386  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.586  -0.208   0.858  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.489  -4.787   0.005  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.600  -4.727  -1.583  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.007  -2.330  -1.161  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.896  -2.387   0.425  1.00  0.00           H  
HETATM   62  H   UNL     1       0.103  -7.651  -5.289  1.00  0.00           H  
CONECT    1    2    5                                                 
CONECT    2    1    3   35   36                                       
CONECT    3    2    4   37   32                                       
CONECT    4    3    5    9                                            
CONECT    5    1    4    6    6                                       
CONECT    6    5    5    7   29                                       
CONECT    7    6    8    8   18                                       
CONECT    8    7    7    9   11                                       
CONECT    9    4    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8   12   41   42                                       
CONECT   12   11   13   17                                            
CONECT   13   12   14   43   44                                       
CONECT   14   13   15   47   48                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   49   50                                       
CONECT   17   12   16   45   46                                       
CONECT   18    7   19   39   40                                       
CONECT   19   18   20   28   28                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22   21   23   23   53                                       
CONECT   23   22   22   24   28                                       
CONECT   24   23   25   25   54                                       
CONECT   25   24   24   26   55                                       
CONECT   26   25   27   27   56                                       
CONECT   27   26   26   28   57                                       
CONECT   28   19   19   23   27                                       
CONECT   29    6   30   31   38                                       
CONECT   30   29   31   58   59                                       
CONECT   31   29   30   60   61                                       
CONECT   32    3   33   34   34                                       
CONECT   33   32   62                                                 
CONECT   34   32   32                                                 
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38   29                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   11                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   14                                                      
CONECT   48   14                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   31                                                      
CONECT   61   31                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
