COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.850  -2.782   0.406  1.00  0.00           C  
HETATM    2  C   UNL     1       2.116  -4.256   0.723  1.00  0.00           C  
HETATM    3  C   UNL     1       0.326  -4.909  -0.730  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.970   1.767   0.175  1.00  0.00           O  
HETATM    5  O   UNL     1      -4.562  -0.649   0.087  1.00  0.00           O  
HETATM    6  C   UNL     1       2.685   4.187  -0.502  1.00  0.00           C  
HETATM    7  C   UNL     1       3.943   3.826  -0.068  1.00  0.00           C  
HETATM    8  C   UNL     1       4.207   2.509   0.295  1.00  0.00           C  
HETATM    9  C   UNL     1       5.055   0.540   0.965  1.00  0.00           C  
HETATM   10  C   UNL     1       3.770   0.288   0.658  1.00  0.00           C  
HETATM   11  C   UNL     1       3.181   1.551   0.216  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.797   0.935  -1.067  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.233   0.812  -2.528  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.919   2.188  -1.936  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.083   0.785   1.733  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.815   0.570   3.059  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.865  -0.505   2.527  1.00  0.00           C  
HETATM   18  S   UNL     1      -4.061   0.675   0.209  1.00  0.00           S  
HETATM   19  C   UNL     1      -1.410   0.465  -0.713  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.165  -0.876  -0.481  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.412   1.330  -0.626  1.00  0.00           N  
HETATM   22  C   UNL     1       0.814   0.929  -0.315  1.00  0.00           C  
HETATM   23  C   UNL     1       1.901   1.930  -0.228  1.00  0.00           C  
HETATM   24  N   UNL     1       5.333   1.862   0.754  1.00  0.00           N  
HETATM   25  C   UNL     1       1.665   3.254  -0.579  1.00  0.00           C  
HETATM   26  N   UNL     1       1.089  -0.348  -0.081  1.00  0.00           N  
HETATM   27  C   UNL     1       0.136  -1.270  -0.156  1.00  0.00           C  
HETATM   28  N   UNL     1       0.427  -2.603   0.084  1.00  0.00           N  
HETATM   29  C   UNL     1       2.702  -2.355  -0.791  1.00  0.00           C  
HETATM   30  C   UNL     1       0.042  -3.441  -1.061  1.00  0.00           C  
HETATM   31  O   UNL     1       1.708  -5.058  -0.389  1.00  0.00           O  
HETATM   32  H   UNL     1       2.107  -2.171   1.272  1.00  0.00           H  
HETATM   33  H   UNL     1       3.180  -4.402   0.906  1.00  0.00           H  
HETATM   34  H   UNL     1       1.551  -4.545   1.608  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.293  -5.217   0.113  1.00  0.00           H  
HETATM   36  H   UNL     1       0.096  -5.528  -1.597  1.00  0.00           H  
HETATM   37  H   UNL     1       2.491   5.212  -0.781  1.00  0.00           H  
HETATM   38  H   UNL     1       4.726   4.567  -0.010  1.00  0.00           H  
HETATM   39  H   UNL     1       5.762  -0.193   1.324  1.00  0.00           H  
HETATM   40  H   UNL     1       3.269  -0.666   0.726  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.517   0.392  -3.234  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.279   0.575  -2.723  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.758   2.856  -1.742  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.995   2.672  -2.253  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.269   1.510   1.718  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.483   1.155   3.917  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.884   0.363   3.016  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.310  -1.419   2.134  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.908  -0.628   3.035  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.961  -1.602  -0.550  1.00  0.00           H  
HETATM   51  H   UNL     1       6.194   2.281   0.904  1.00  0.00           H  
HETATM   52  H   UNL     1       0.686   3.554  -0.920  1.00  0.00           H  
HETATM   53  H   UNL     1       2.445  -2.965  -1.657  1.00  0.00           H  
HETATM   54  H   UNL     1       2.511  -1.305  -1.017  1.00  0.00           H  
HETATM   55  H   UNL     1       3.757  -2.489  -0.553  1.00  0.00           H  
HETATM   56  H   UNL     1       0.621  -3.147  -1.937  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.020  -3.312  -1.266  1.00  0.00           H  
CONECT    1    2   28   29   32                                       
CONECT    2   31    1   33   34                                       
CONECT    3   31   30   35   36                                       
CONECT    4   18   18                                                 
CONECT    5   18   18                                                 
CONECT    6   25   25    7   37                                       
CONECT    7    8    8    6   38                                       
CONECT    8   11   24    7    7                                       
CONECT    9   10   10   24   39                                       
CONECT   10    9    9   11   40                                       
CONECT   11   10   23   23    8                                       
CONECT   12   14   19   18   13                                       
CONECT   13   14   12   41   42                                       
CONECT   14   12   13   43   44                                       
CONECT   15   18   16   17   45                                       
CONECT   16   15   17   46   47                                       
CONECT   17   15   16   48   49                                       
CONECT   18    4    4   12    5                                       
CONECT   18    5   15                                                 
CONECT   19   20   12   21   21                                       
CONECT   20   27   27   19   50                                       
CONECT   21   19   19   22                                            
CONECT   22   26   26   21   23                                       
CONECT   23   22   11   11   25                                       
CONECT   24    9    8   51                                            
CONECT   25   23    6    6   52                                       
CONECT   26   27   22   22                                            
CONECT   27   28   20   20   26                                       
CONECT   28   30    1   27                                            
CONECT   29    1   53   54   55                                       
CONECT   30    3   28   56   57                                       
CONECT   31    3    2                                                 
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   30                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
