COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -5.259   1.191  -0.752  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.473   1.704  -1.960  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.177   0.537  -2.906  1.00  0.00           C  
HETATM    4  C   UNL     1       4.037  -1.034   0.938  1.00  0.00           C  
HETATM    5  C   UNL     1       5.485   0.567   0.420  1.00  0.00           C  
HETATM    6  C   UNL     1       6.090   1.649  -0.376  1.00  0.00           C  
HETATM    7  C   UNL     1       7.801   3.350  -0.722  1.00  0.00           C  
HETATM    8  C   UNL     1       9.038   3.884   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.586   2.360   0.178  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.360   1.854   1.368  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.395   3.353  -0.547  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.359  -5.587   0.796  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.497  -0.524  -2.150  1.00  0.00           N  
HETATM   14  N   UNL     1      -7.020   4.119  -1.107  1.00  0.00           N  
HETATM   15  C   UNL     1       2.843  -1.881   0.704  1.00  0.00           C  
HETATM   16  C   UNL     1       1.803  -1.411  -0.106  1.00  0.00           C  
HETATM   17  C   UNL     1       0.686  -2.237  -0.308  1.00  0.00           C  
HETATM   18  C   UNL     1       0.655  -3.494   0.305  1.00  0.00           C  
HETATM   19  C   UNL     1       1.729  -3.878   1.091  1.00  0.00           C  
HETATM   20  C   UNL     1       0.408  -0.278  -1.445  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.222  -1.484  -1.187  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.525  -1.920  -1.688  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.320  -1.024  -2.577  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.123  -1.028  -0.920  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.419   0.158   0.004  1.00  0.00           C  
HETATM   26  C   UNL     1       4.824  -1.166   2.045  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.854   2.021   2.644  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.564   1.557   3.735  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.781   0.926   3.551  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.288   0.761   2.276  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.579   1.229   1.185  1.00  0.00           C  
HETATM   32  N   UNL     1       2.770  -3.083   1.259  1.00  0.00           N  
HETATM   33  N   UNL     1       1.592  -0.244  -0.808  1.00  0.00           N  
HETATM   34  N   UNL     1       4.419  -0.104   0.090  1.00  0.00           N  
HETATM   35  N   UNL     1       7.199   2.273   0.069  1.00  0.00           N  
HETATM   36  O   UNL     1      -1.959  -3.012  -1.380  1.00  0.00           O  
HETATM   37  O   UNL     1      -1.908  -0.746  -3.684  1.00  0.00           O  
HETATM   38  O   UNL     1      10.033   2.860   0.064  1.00  0.00           O  
HETATM   39  O   UNL     1       5.589   1.979  -1.434  1.00  0.00           O  
HETATM   40  O   UNL     1      -0.409  -4.322   0.134  1.00  0.00           O  
HETATM   41  S   UNL     1       6.095  -0.024   1.962  1.00  0.00           S  
HETATM   42  H   UNL     1      -6.185   0.727  -1.092  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.062   2.457  -2.484  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.535   2.146  -1.623  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.111   0.152  -3.315  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.534   0.877  -3.717  1.00  0.00           H  
HETATM   47  H   UNL     1       7.077   4.155  -0.849  1.00  0.00           H  
HETATM   48  H   UNL     1       8.090   2.964  -1.700  1.00  0.00           H  
HETATM   49  H   UNL     1       9.434   4.742  -0.542  1.00  0.00           H  
HETATM   50  H   UNL     1       8.765   4.188   1.012  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.660   2.824   0.518  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.268  -6.148   0.576  1.00  0.00           H  
HETATM   53  H   UNL     1       0.507  -6.147   0.445  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.280  -5.431   1.872  1.00  0.00           H  
HETATM   55  H   UNL     1       1.717  -4.846   1.570  1.00  0.00           H  
HETATM   56  H   UNL     1       0.009   0.513  -2.062  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.053  -1.540  -1.167  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.444  -1.719  -0.421  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.482   0.614   0.322  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.970  -0.191   0.877  1.00  0.00           H  
HETATM   61  H   UNL     1       4.669  -1.876   2.843  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.904   2.513   2.788  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.169   1.686   4.732  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.335   0.563   4.404  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.238   0.268   2.132  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.977   1.102   0.188  1.00  0.00           H  
HETATM   67  H   UNL     1       2.213   0.500  -0.839  1.00  0.00           H  
HETATM   68  H   UNL     1       7.599   2.010   0.913  1.00  0.00           H  
HETATM   69  H   UNL     1      10.847   3.129   0.511  1.00  0.00           H  
CONECT    1    2    9   25   42                                       
CONECT    2    1    3   43   44                                       
CONECT    3    2   13   45   46                                       
CONECT    4   15   26   26   34                                       
CONECT    5    6   34   34   41                                       
CONECT    6    5   35   39   39                                       
CONECT    7    8   35   47   48                                       
CONECT    8    7   38   49   50                                       
CONECT    9    1   10   11   51                                       
CONECT   10    9   27   27   31                                       
CONECT   11    9   14   14   14                                       
CONECT   12   40   52   53   54                                       
CONECT   13    3   23   24                                            
CONECT   14   11   11   11                                            
CONECT   15    4   16   16   32                                       
CONECT   16   15   15   17   33                                       
CONECT   17   16   18   18   21                                       
CONECT   18   17   17   19   40                                       
CONECT   19   18   32   32   55                                       
CONECT   20   21   21   33   56                                       
CONECT   21   17   20   20   22                                       
CONECT   22   21   23   36   36                                       
CONECT   23   13   22   37   37                                       
CONECT   24   13   25   57   58                                       
CONECT   25    1   24   59   60                                       
CONECT   26    4    4   41   61                                       
CONECT   27   10   10   28   62                                       
CONECT   28   27   29   29   63                                       
CONECT   29   28   28   30   64                                       
CONECT   30   29   31   31   65                                       
CONECT   31   10   30   30   66                                       
CONECT   32   15   19   19                                            
CONECT   33   16   20   67                                            
CONECT   34    4    5    5                                            
CONECT   35    6    7   68                                            
CONECT   36   22   22                                                 
CONECT   37   23   23                                                 
CONECT   38    8   69                                                 
CONECT   39    6    6                                                 
CONECT   40   12   18                                                 
CONECT   41    5   26                                                 
CONECT   42    1                                                      
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    7                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   30                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   35                                                      
CONECT   69   38                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
