COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.836  -0.703  -3.885  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.700  -0.638  -2.547  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.709  -0.134  -2.063  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.768  -1.185  -1.661  1.00  0.00           C  
HETATM    5  O   UNL     1      -3.760  -1.689  -2.146  1.00  0.00           O  
HETATM    6  N   UNL     1      -2.632  -1.120  -0.322  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.493  -0.542   0.235  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.434  -1.340   0.643  1.00  0.00           C  
HETATM    9  C   UNL     1       0.694  -0.765   1.195  1.00  0.00           C  
HETATM   10  C   UNL     1       0.779   0.610   1.346  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.264   1.419   0.952  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.411   0.853   0.387  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.525   1.710  -0.041  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.402   3.053   0.011  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.550   3.906  -0.298  1.00  0.00           C  
HETATM   16  O   UNL     1      -4.639   3.406  -0.511  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.401   5.244  -0.348  1.00  0.00           N  
HETATM   18  C   UNL     1       2.016   1.222   1.950  1.00  0.00           C  
HETATM   19  C   UNL     1       2.970   1.651   0.833  1.00  0.00           C  
HETATM   20  N   UNL     1       2.305   2.632  -0.028  1.00  0.00           N  
HETATM   21  S   UNL     1       2.528   4.252   0.237  1.00  0.00           S  
HETATM   22  O   UNL     1       2.189   4.396   1.609  1.00  0.00           O  
HETATM   23  O   UNL     1       1.757   4.849  -0.797  1.00  0.00           O  
HETATM   24  C   UNL     1       4.306   4.475  -0.040  1.00  0.00           C  
HETATM   25  C   UNL     1       3.359   0.447   0.015  1.00  0.00           C  
HETATM   26  O   UNL     1       2.813   0.232  -1.047  1.00  0.00           O  
HETATM   27  N   UNL     1       4.314  -0.393   0.462  1.00  0.00           N  
HETATM   28  C   UNL     1       4.692  -1.564  -0.333  1.00  0.00           C  
HETATM   29  C   UNL     1       5.788  -2.343   0.395  1.00  0.00           C  
HETATM   30  C   UNL     1       6.183  -3.565  -0.435  1.00  0.00           C  
HETATM   31  C   UNL     1       7.280  -4.345   0.293  1.00  0.00           C  
HETATM   32  C   UNL     1       7.674  -5.567  -0.537  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.629  -1.631   0.505  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.585  -0.784   1.051  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.572  -1.293   1.871  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.618  -2.648   2.156  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.678  -3.504   1.624  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.676  -3.005   0.788  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.667  -3.915   0.215  1.00  0.00           C  
HETATM   40  O   UNL     1      -1.864  -3.498  -0.596  1.00  0.00           O  
HETATM   41  O   UNL     1      -2.635  -5.208   0.592  1.00  0.00           O  
HETATM   42  H   UNL     1      -1.144  -0.348  -4.459  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.491  -2.413   0.529  1.00  0.00           H  
HETATM   44  H   UNL     1       1.516  -1.391   1.510  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.193   2.490   1.073  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.443   1.265  -0.397  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.456   3.499   0.282  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.533   5.642  -0.178  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.162   5.809  -0.554  1.00  0.00           H  
HETATM   50  H   UNL     1       2.510   0.490   2.588  1.00  0.00           H  
HETATM   51  H   UNL     1       1.738   2.093   2.544  1.00  0.00           H  
HETATM   52  H   UNL     1       3.864   2.097   1.269  1.00  0.00           H  
HETATM   53  H   UNL     1       1.734   2.333  -0.753  1.00  0.00           H  
HETATM   54  H   UNL     1       4.555   4.181  -1.060  1.00  0.00           H  
HETATM   55  H   UNL     1       4.568   5.522   0.110  1.00  0.00           H  
HETATM   56  H   UNL     1       4.864   3.857   0.663  1.00  0.00           H  
HETATM   57  H   UNL     1       4.751  -0.221   1.311  1.00  0.00           H  
HETATM   58  H   UNL     1       5.062  -1.238  -1.305  1.00  0.00           H  
HETATM   59  H   UNL     1       3.821  -2.205  -0.472  1.00  0.00           H  
HETATM   60  H   UNL     1       5.418  -2.668   1.368  1.00  0.00           H  
HETATM   61  H   UNL     1       6.659  -1.701   0.534  1.00  0.00           H  
HETATM   62  H   UNL     1       6.553  -3.240  -1.408  1.00  0.00           H  
HETATM   63  H   UNL     1       5.313  -4.207  -0.574  1.00  0.00           H  
HETATM   64  H   UNL     1       6.910  -4.670   1.266  1.00  0.00           H  
HETATM   65  H   UNL     1       8.150  -3.703   0.432  1.00  0.00           H  
HETATM   66  H   UNL     1       8.456  -6.122  -0.018  1.00  0.00           H  
HETATM   67  H   UNL     1       6.804  -6.209  -0.676  1.00  0.00           H  
HETATM   68  H   UNL     1       8.045  -5.242  -1.510  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.556   0.273   0.834  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.313  -0.630   2.293  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.395  -3.036   2.798  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.718  -4.559   1.850  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.929  -5.787   0.273  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4                                                 
CONECT    6    4    7   33                                            
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   43                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   11   18                                       
CONECT   11   10   12   12   45                                       
CONECT   12    7   11   11   13                                       
CONECT   13   12   14   14   46                                       
CONECT   14   13   13   15   47                                       
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   48   49                                            
CONECT   18   10   19   50   51                                       
CONECT   19   18   20   25   52                                       
CONECT   20   19   21   53                                            
CONECT   21   20   22   22   23                                       
CONECT   21   23   24                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   21   54   55   56                                       
CONECT   25   19   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   57                                            
CONECT   28   27   29   58   59                                       
CONECT   29   28   30   60   61                                       
CONECT   30   29   31   62   63                                       
CONECT   31   30   32   64   65                                       
CONECT   32   31   66   67   68                                       
CONECT   33    6   34   34   38                                       
CONECT   34   33   33   35   69                                       
CONECT   35   34   36   36   70                                       
CONECT   36   35   35   37   71                                       
CONECT   37   36   38   38   72                                       
CONECT   38   33   37   37   39                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   73                                                 
CONECT   42    1                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   13                                                      
CONECT   47   14                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   35                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   41                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
