COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.287   0.042  -1.554  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.289  -0.933  -1.502  1.00  0.00           C  
HETATM    3  O   UNL     1      -3.256  -1.991  -2.350  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.340   1.252   0.237  1.00  0.00           C  
HETATM    5  O   UNL     1      -5.352   1.213   2.205  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.346   0.293   0.304  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.262  -2.896  -1.063  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.322  -0.811  -0.573  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.391  -1.826  -0.501  1.00  0.00           C  
HETATM   10  O   UNL     1       6.173  -1.249   2.305  1.00  0.00           O  
HETATM   11  O   UNL     1       5.162  -2.439   0.741  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.282  -0.068  -2.460  1.00  0.00           O  
HETATM   13  O   UNL     1      -1.339   3.288   0.255  1.00  0.00           O  
HETATM   14  S   UNL     1      -1.050   2.343  -0.765  1.00  0.00           S  
HETATM   15  O   UNL     1      -0.914   2.695  -2.135  1.00  0.00           O  
HETATM   16  N   UNL     1       0.367   1.604  -0.330  1.00  0.00           N  
HETATM   17  C   UNL     1       0.789   1.565   1.077  1.00  0.00           C  
HETATM   18  C   UNL     1       2.198   2.161   1.182  1.00  0.00           C  
HETATM   19  N   UNL     1       3.053   1.527   0.169  1.00  0.00           N  
HETATM   20  C   UNL     1       4.203   0.920   0.524  1.00  0.00           C  
HETATM   21  O   UNL     1       4.541   0.894   1.688  1.00  0.00           O  
HETATM   22  C   UNL     1       5.070   0.275  -0.527  1.00  0.00           C  
HETATM   23  C   UNL     1       6.306  -0.337   0.137  1.00  0.00           C  
HETATM   24  O   UNL     1       7.047   0.689   0.800  1.00  0.00           O  
HETATM   25  C   UNL     1       7.185  -0.992  -0.930  1.00  0.00           C  
HETATM   26  C   UNL     1       8.338  -1.699  -0.265  1.00  0.00           C  
HETATM   27  O   UNL     1       8.445  -1.681   0.938  1.00  0.00           O  
HETATM   28  O   UNL     1       9.246  -2.350  -1.010  1.00  0.00           O  
HETATM   29  C   UNL     1       5.875  -1.375   1.140  1.00  0.00           C  
HETATM   30  C   UNL     1       2.631   1.566  -1.238  1.00  0.00           C  
HETATM   31  C   UNL     1       1.222   0.970  -1.344  1.00  0.00           C  
HETATM   32  C   UNL     1      -2.319   1.123  -0.688  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.440   0.422   1.286  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.645  -0.423   1.139  1.00  0.00           C  
HETATM   35  C   UNL     1      -7.801  -0.139   1.858  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.919  -0.942   1.709  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.895  -2.025   0.850  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.753  -2.321   0.125  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.621  -1.525   0.264  1.00  0.00           C  
HETATM   40  H   UNL     1      -2.772  -2.755  -2.008  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.356   2.099   0.908  1.00  0.00           H  
HETATM   42  H   UNL     1       4.909  -3.078   1.421  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.468   0.359  -3.307  1.00  0.00           H  
HETATM   44  H   UNL     1       0.098   2.151   1.682  1.00  0.00           H  
HETATM   45  H   UNL     1       0.798   0.533   1.428  1.00  0.00           H  
HETATM   46  H   UNL     1       2.156   3.235   1.005  1.00  0.00           H  
HETATM   47  H   UNL     1       2.604   1.967   2.175  1.00  0.00           H  
HETATM   48  H   UNL     1       4.505  -0.508  -1.033  1.00  0.00           H  
HETATM   49  H   UNL     1       5.381   1.026  -1.253  1.00  0.00           H  
HETATM   50  H   UNL     1       7.356   1.393   0.213  1.00  0.00           H  
HETATM   51  H   UNL     1       6.595  -1.713  -1.495  1.00  0.00           H  
HETATM   52  H   UNL     1       7.569  -0.227  -1.605  1.00  0.00           H  
HETATM   53  H   UNL     1       9.967  -2.788  -0.538  1.00  0.00           H  
HETATM   54  H   UNL     1       2.619   2.598  -1.589  1.00  0.00           H  
HETATM   55  H   UNL     1       3.322   0.979  -1.844  1.00  0.00           H  
HETATM   56  H   UNL     1       1.268  -0.104  -1.164  1.00  0.00           H  
HETATM   57  H   UNL     1       0.814   1.159  -2.337  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.826   0.705   2.531  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.816  -0.721   2.268  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.773  -2.644   0.743  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.740  -3.169  -0.544  1.00  0.00           H  
CONECT    1   12    2    2   32                                       
CONECT    2    3    1    1    8                                       
CONECT    3    2   40                                                 
CONECT    4   32   32    6   41                                       
CONECT    5   33   33                                                 
CONECT    6    8    8    4   33                                       
CONECT    7    9    9                                                 
CONECT    8    2    9    6    6                                       
CONECT    9    7    7    8   39                                       
CONECT   10   29   29                                                 
CONECT   11   29   42                                                 
CONECT   12    1   43                                                 
CONECT   13   14   14                                                 
CONECT   14   16   15   15   32                                       
CONECT   14   13   13                                                 
CONECT   15   14   14                                                 
CONECT   16   17   31   14                                            
CONECT   17   18   16   44   45                                       
CONECT   18   19   17   46   47                                       
CONECT   19   20   18   30                                            
CONECT   20   22   21   21   19                                       
CONECT   21   20   20                                                 
CONECT   22   23   20   48   49                                       
CONECT   23   25   29   24   22                                       
CONECT   24   23   50                                                 
CONECT   25   26   23   51   52                                       
CONECT   26   28   27   27   25                                       
CONECT   27   26   26                                                 
CONECT   28   26   53                                                 
CONECT   29   11   23   10   10                                       
CONECT   30   19   31   54   55                                       
CONECT   31   30   16   56   57                                       
CONECT   32    1   14    4    4                                       
CONECT   33    6   34    5    5                                       
CONECT   34   39   33   35   35                                       
CONECT   35   34   34   36   58                                       
CONECT   36   37   37   35   59                                       
CONECT   37   38   36   36   60                                       
CONECT   38   39   39   37   61                                       
CONECT   39    9   38   38   34                                       
CONECT   40    3                                                      
CONECT   41    4                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   25                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   35                                                      
CONECT   59   36                                                      
CONECT   60   37                                                      
CONECT   61   38                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
