COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.941  -1.742  -0.053  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.060  -1.241   1.230  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.783  -1.290  -1.052  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.020  -0.288   1.513  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.743  -0.337  -0.769  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.861   0.165   0.514  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.909   1.203   0.823  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.411   2.579   0.375  1.00  0.00           C  
HETATM    9  O   UNL     1      -7.352   3.578   0.772  1.00  0.00           O  
HETATM   10  C   UNL     1      -2.891  -2.777  -0.363  1.00  0.00           C  
HETATM   11  C   UNL     1       0.469  -1.007  -0.230  1.00  0.00           C  
HETATM   12  C   UNL     1       2.075   0.717   0.234  1.00  0.00           C  
HETATM   13  C   UNL     1       2.722   0.430  -0.955  1.00  0.00           C  
HETATM   14  C   UNL     1       0.952   0.005   0.601  1.00  0.00           C  
HETATM   15  C   UNL     1       1.127  -1.292  -1.427  1.00  0.00           C  
HETATM   16  O   UNL     1       4.186   1.352  -2.838  1.00  0.00           O  
HETATM   17  C   UNL     1       6.048  -0.363   3.113  1.00  0.00           C  
HETATM   18  C   UNL     1       5.504   1.194   1.377  1.00  0.00           C  
HETATM   19  C   UNL     1       5.998  -1.095   0.834  1.00  0.00           C  
HETATM   20  S   UNL     1       4.155   1.345  -1.417  1.00  0.00           S  
HETATM   21  O   UNL     1       4.144   2.530  -0.634  1.00  0.00           O  
HETATM   22  N   UNL     1       5.474   0.472  -0.925  1.00  0.00           N  
HETATM   23  C   UNL     1       5.659   0.190   0.430  1.00  0.00           C  
HETATM   24  C   UNL     1       6.196  -1.367   2.174  1.00  0.00           C  
HETATM   25  C   UNL     1       5.699   0.915   2.716  1.00  0.00           C  
HETATM   26  C   UNL     1       2.248  -0.572  -1.783  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.730  -1.779   0.161  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.886  -2.116   1.318  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.651  -2.108  -0.767  1.00  0.00           N  
HETATM   30  C   UNL     1      -1.412  -1.798  -2.178  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.116   0.884   0.129  1.00  0.00           O  
HETATM   32  H   UNL     1      -3.403  -1.595   2.011  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.690  -1.681  -2.055  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.113   0.103   2.516  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.400   0.017  -1.549  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.100   1.218   1.896  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.445   2.784   0.837  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.305   2.591  -0.710  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.100   4.477   0.520  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.704  -3.383   0.523  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.239  -3.416  -1.174  1.00  0.00           H  
HETATM   42  H   UNL     1       2.450   1.501   0.875  1.00  0.00           H  
HETATM   43  H   UNL     1       0.448   0.230   1.529  1.00  0.00           H  
HETATM   44  H   UNL     1       0.758  -2.075  -2.074  1.00  0.00           H  
HETATM   45  H   UNL     1       6.199  -0.579   4.161  1.00  0.00           H  
HETATM   46  H   UNL     1       5.233   2.193   1.067  1.00  0.00           H  
HETATM   47  H   UNL     1       6.118  -1.878   0.100  1.00  0.00           H  
HETATM   48  H   UNL     1       6.117   0.156  -1.579  1.00  0.00           H  
HETATM   49  H   UNL     1       6.468  -2.363   2.487  1.00  0.00           H  
HETATM   50  H   UNL     1       5.579   1.695   3.452  1.00  0.00           H  
HETATM   51  H   UNL     1       2.758  -0.792  -2.710  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.822  -2.594  -2.631  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.366  -1.712  -2.698  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.871  -0.855  -2.257  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.020   0.853  -0.833  1.00  0.00           H  
CONECT    1   10    3    3    2                                       
CONECT    2    1    4    4   32                                       
CONECT    3    1    1    5   33                                       
CONECT    4    2    2    6   34                                       
CONECT    5    3    6    6   35                                       
CONECT    6    5    5    4    7                                       
CONECT    7    6   31    8   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   39                                                 
CONECT   10   29    1   40   41                                       
CONECT   11   15   27   14   14                                       
CONECT   12   13   13   14   42                                       
CONECT   13   26   20   12   12                                       
CONECT   14   11   11   12   43                                       
CONECT   15   26   26   11   44                                       
CONECT   16   20   20                                                 
CONECT   17   24   25   25   45                                       
CONECT   18   23   23   25   46                                       
CONECT   19   24   24   23   47                                       
CONECT   20   22   13   21   21                                       
CONECT   20   16   16                                                 
CONECT   21   20   20                                                 
CONECT   22   23   20   48                                            
CONECT   23   19   22   18   18                                       
CONECT   24   19   19   17   49                                       
CONECT   25   17   17   18   50                                       
CONECT   26   15   15   13   51                                       
CONECT   27   28   28   11   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   10                                            
CONECT   30   29   52   53   54                                       
CONECT   31    7   55                                                 
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   22                                                      
CONECT   49   24                                                      
CONECT   50   25                                                      
CONECT   51   26                                                      
CONECT   52   30                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
