COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.759   0.630   0.424  1.00  0.00           C  
HETATM    2  C   UNL     1       0.693  -0.197   0.070  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.568   0.349  -0.107  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.761   1.734   0.072  1.00  0.00           C  
HETATM    5  C   UNL     1       0.322   2.551   0.427  1.00  0.00           C  
HETATM    6  C   UNL     1       1.558   2.007   0.600  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.791  -0.194  -0.449  1.00  0.00           N  
HETATM    8  C   UNL     1      -2.727   0.812  -0.485  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.131   1.992  -0.174  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.807   3.336  -0.102  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.660   3.907   1.309  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.347   5.272   1.382  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.696   6.225   0.377  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.843   5.654  -1.035  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.156   4.289  -1.108  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.158   0.638  -0.812  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.727  -0.157  -1.908  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.059  -0.021  -1.812  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.344   0.776  -0.771  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.222   1.176  -0.156  1.00  0.00           C  
HETATM   21  C   UNL     1       3.102   0.053   0.620  1.00  0.00           C  
HETATM   22  O   UNL     1       3.278  -1.142   0.473  1.00  0.00           O  
HETATM   23  N   UNL     1       4.134   0.849   0.962  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.049  -1.609  -0.727  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.425  -2.312   0.552  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.473  -1.692   1.594  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.708  -3.629   0.539  1.00  0.00           N  
HETATM   28  C   UNL     1      -3.078  -4.337   1.775  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.369  -5.122   1.515  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.202  -5.930   0.347  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.969  -5.184  -0.851  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.663  -4.401  -0.713  1.00  0.00           C  
HETATM   33  S   UNL     1       5.642   0.201   1.182  1.00  0.00           S  
HETATM   34  O   UNL     1       6.503   1.286   1.497  1.00  0.00           O  
HETATM   35  O   UNL     1       5.474  -0.928   2.029  1.00  0.00           O  
HETATM   36  C   UNL     1       6.175  -0.422  -0.377  1.00  0.00           C  
HETATM   37  C   UNL     1       6.877   0.395  -1.244  1.00  0.00           C  
HETATM   38  C   UNL     1       7.295  -0.093  -2.468  1.00  0.00           C  
HETATM   39  C   UNL     1       7.011  -1.398  -2.825  1.00  0.00           C  
HETATM   40  C   UNL     1       6.308  -2.215  -1.959  1.00  0.00           C  
HETATM   41  C   UNL     1       5.896  -1.728  -0.732  1.00  0.00           C  
HETATM   42  H   UNL     1       0.850  -1.256  -0.065  1.00  0.00           H  
HETATM   43  H   UNL     1       0.176   3.612   0.564  1.00  0.00           H  
HETATM   44  H   UNL     1       2.389   2.640   0.874  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.865   3.224  -0.341  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.124   3.229   2.026  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.602   4.019   1.548  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.405   5.160   1.144  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.242   5.679   2.388  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.185   7.197   0.428  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.638   6.337   0.615  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.901   5.542  -1.273  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.379   6.332  -1.751  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.098   4.401  -0.869  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.261   3.882  -2.114  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.184  -0.735  -2.641  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.785  -0.477  -2.469  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.171   1.818   0.711  1.00  0.00           H  
HETATM   59  H   UNL     1       3.994   1.801   1.079  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.867  -1.696  -1.442  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.152  -2.067  -1.143  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.280  -5.025   2.057  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.241  -3.617   2.576  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.585  -5.761   2.371  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.194  -4.426   1.363  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.897  -5.866  -1.699  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.795  -4.491  -1.009  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.550  -3.724  -1.560  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.822  -5.094  -0.681  1.00  0.00           H  
HETATM   70  H   UNL     1       7.099   1.414  -0.965  1.00  0.00           H  
HETATM   71  H   UNL     1       7.843   0.545  -3.145  1.00  0.00           H  
HETATM   72  H   UNL     1       7.337  -1.780  -3.782  1.00  0.00           H  
HETATM   73  H   UNL     1       6.086  -3.234  -2.238  1.00  0.00           H  
HETATM   74  H   UNL     1       5.347  -2.366  -0.055  1.00  0.00           H  
CONECT    1   21    2    2    6                                       
CONECT    2    1    1    3   42                                       
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    5    9                                       
CONECT    5    6    6    4   43                                       
CONECT    6    1    5    5   44                                       
CONECT    7   24    3    8                                            
CONECT    8    7    9    9   16                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   15   11   45                                       
CONECT   11   10   12   46   47                                       
CONECT   12   11   13   48   49                                       
CONECT   13   14   12   50   51                                       
CONECT   14   15   13   52   53                                       
CONECT   15   10   14   54   55                                       
CONECT   16   17    8   20   20                                       
CONECT   17   16   18   18   56                                       
CONECT   18   17   17   19   57                                       
CONECT   19   18   20                                                 
CONECT   20   16   16   19   58                                       
CONECT   21   23   22   22    1                                       
CONECT   22   21   21                                                 
CONECT   23   33   21   59                                            
CONECT   24   25    7   60   61                                       
CONECT   25   26   26   27   24                                       
CONECT   26   25   25                                                 
CONECT   27   32   25   28                                            
CONECT   28   27   29   62   63                                       
CONECT   29   30   28   64   65                                       
CONECT   30   31   29                                                 
CONECT   31   32   30   66   67                                       
CONECT   32   31   27   68   69                                       
CONECT   33   36   35   35   34                                       
CONECT   33   34   23                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   41   41   37   33                                       
CONECT   37   38   38   36   70                                       
CONECT   38   39   37   37   71                                       
CONECT   39   40   40   38   72                                       
CONECT   40   39   39   41   73                                       
CONECT   41   40   36   36   74                                       
CONECT   42    2                                                      
CONECT   43    5                                                      
CONECT   44    6                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   17                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   37                                                      
CONECT   71   38                                                      
CONECT   72   39                                                      
CONECT   73   40                                                      
CONECT   74   41                                                      
MASTER        0    0    0    0    0    0    0    0   74    0   74    0
END
