COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.378   1.721   1.566  1.00  0.00           C  
HETATM    2  C   UNL     1       0.968   2.068  -1.391  1.00  0.00           C  
HETATM    3  C   UNL     1       2.663   0.811  -0.261  1.00  0.00           C  
HETATM    4  C   UNL     1       6.306   0.297  -1.032  1.00  0.00           C  
HETATM    5  C   UNL     1       6.694  -0.511   0.022  1.00  0.00           C  
HETATM    6  C   UNL     1       5.776  -0.891   0.984  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.799  -3.999  -0.959  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.044  -3.112  -0.885  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.129  -3.823  -0.074  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.691  -1.808  -0.217  1.00  0.00           C  
HETATM   11  N   UNL     1      -6.223  -1.663   0.987  1.00  0.00           N  
HETATM   12  O   UNL     1      -6.041  -0.490   1.234  1.00  0.00           O  
HETATM   13  C   UNL     1      -6.387   0.255   0.175  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.321   1.623   0.077  1.00  0.00           N  
HETATM   15  C   UNL     1      -5.805   2.215   1.318  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.493   2.119   0.382  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.079   1.576   0.596  1.00  0.00           C  
HETATM   18  O   UNL     1      -1.225   2.046  -0.450  1.00  0.00           O  
HETATM   19  C   UNL     1       0.075   1.652  -0.408  1.00  0.00           C  
HETATM   20  C   UNL     1       2.281   1.639  -1.314  1.00  0.00           C  
HETATM   21  C   UNL     1       4.069   0.350  -0.162  1.00  0.00           C  
HETATM   22  C   UNL     1       4.999   0.729  -1.128  1.00  0.00           C  
HETATM   23  S   UNL     1       8.365  -1.059   0.138  1.00  0.00           S  
HETATM   24  C   UNL     1       9.196   0.225   1.113  1.00  0.00           C  
HETATM   25  O   UNL     1       8.285  -2.272   0.875  1.00  0.00           O  
HETATM   26  O   UNL     1       8.832  -1.047  -1.204  1.00  0.00           O  
HETATM   27  C   UNL     1       4.466  -0.465   0.897  1.00  0.00           C  
HETATM   28  N   UNL     1       1.785   0.444   0.664  1.00  0.00           N  
HETATM   29  C   UNL     1       0.527   0.830   0.615  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.079   1.530  -0.905  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.515   2.030  -1.081  1.00  0.00           C  
HETATM   32  N   UNL     1      -6.799  -0.584  -0.760  1.00  0.00           N  
HETATM   33  H   UNL     1      -3.990   2.172   2.479  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.382   0.636   1.669  1.00  0.00           H  
HETATM   35  H   UNL     1       0.643   2.707  -2.199  1.00  0.00           H  
HETATM   36  H   UNL     1       7.029   0.594  -1.778  1.00  0.00           H  
HETATM   37  H   UNL     1       6.084  -1.522   1.804  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.054  -4.943  -1.442  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.026  -3.493  -1.536  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.431  -4.194   0.048  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.411  -2.917  -1.892  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.761  -4.019   0.933  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.016  -3.191  -0.021  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.384  -4.767  -0.557  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.442   1.921   2.153  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.803   3.301   1.229  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.458   3.205   0.302  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.699   1.921   1.558  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.102   0.487   0.584  1.00  0.00           H  
HETATM   50  H   UNL     1       3.001   1.942  -2.060  1.00  0.00           H  
HETATM   51  H   UNL     1       4.698   1.361  -1.951  1.00  0.00           H  
HETATM   52  H   UNL     1      10.247  -0.036   1.237  1.00  0.00           H  
HETATM   53  H   UNL     1       9.117   1.181   0.597  1.00  0.00           H  
HETATM   54  H   UNL     1       8.723   0.300   2.093  1.00  0.00           H  
HETATM   55  H   UNL     1       3.750  -0.762   1.649  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.161   0.504   1.381  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.477   1.846  -1.757  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.078   0.442  -0.840  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.940   1.602  -1.988  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.514   3.117  -1.159  1.00  0.00           H  
CONECT    1   16   15   33   34                                       
CONECT    2   20   19   19   35                                       
CONECT    3   21   20   20   28                                       
CONECT    4    5    5   22   36                                       
CONECT    5   23    4    4    6                                       
CONECT    6    5   27   27   37                                       
CONECT    7    8   38   39   40                                       
CONECT    8   10    9    7   41                                       
CONECT    9    8   42   43   44                                       
CONECT   10   32    8   11   11                                       
CONECT   11   10   10   12                                            
CONECT   12   13   11                                                 
CONECT   13   14   32   32   12                                       
CONECT   14   31   15   13                                            
CONECT   15    1   14   45   46                                       
CONECT   16   17   30    1   47                                       
CONECT   17   18   16   48   49                                       
CONECT   18   19   17                                                 
CONECT   19    2    2   29   18                                       
CONECT   20    3    3    2   50                                       
CONECT   21   22   22   27    3                                       
CONECT   22    4   21   21   51                                       
CONECT   23   26   26   24   25                                       
CONECT   23   25    5                                                 
CONECT   24   23   52   53   54                                       
CONECT   25   23   23                                                 
CONECT   26   23   23                                                 
CONECT   27    6    6   21   55                                       
CONECT   28    3   29   29                                            
CONECT   29   28   28   19   56                                       
CONECT   30   16   31   57   58                                       
CONECT   31   30   14   59   60                                       
CONECT   32   13   13   10                                            
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   17                                                      
CONECT   50   20                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
