COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.804   0.999   2.009  1.00  0.00           C  
HETATM    2  C   UNL     1       2.141   2.215   2.157  1.00  0.00           C  
HETATM    3  C   UNL     1       2.195   3.164   1.181  1.00  0.00           C  
HETATM    4  C   UNL     1       2.930   2.914   0.011  1.00  0.00           C  
HETATM    5  C   UNL     1       3.012   3.868  -1.021  1.00  0.00           C  
HETATM    6  C   UNL     1       3.744   3.556  -2.130  1.00  0.00           C  
HETATM    7  C   UNL     1       4.384   2.321  -2.217  1.00  0.00           C  
HETATM    8  N   UNL     1       4.305   1.434  -1.254  1.00  0.00           N  
HETATM    9  C   UNL     1       3.605   1.677  -0.141  1.00  0.00           C  
HETATM   10  C   UNL     1       3.524   0.723   0.888  1.00  0.00           C  
HETATM   11  S   UNL     1       4.360  -0.820   0.730  1.00  0.00           S  
HETATM   12  O   UNL     1       5.681  -0.520   0.303  1.00  0.00           O  
HETATM   13  O   UNL     1       4.072  -1.554   1.912  1.00  0.00           O  
HETATM   14  N   UNL     1       3.641  -1.641  -0.516  1.00  0.00           N  
HETATM   15  C   UNL     1       2.297  -1.987  -0.438  1.00  0.00           C  
HETATM   16  C   UNL     1       1.458  -1.767  -1.527  1.00  0.00           C  
HETATM   17  C   UNL     1       0.127  -2.108  -1.452  1.00  0.00           C  
HETATM   18  C   UNL     1       1.793  -2.556   0.729  1.00  0.00           C  
HETATM   19  C   UNL     1       0.463  -2.899   0.809  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.383  -2.675  -0.281  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.809  -3.042  -0.197  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.134  -4.122   0.256  1.00  0.00           O  
HETATM   23  N   UNL     1      -2.753  -2.178  -0.624  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.380  -0.906  -1.261  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.137   0.228  -0.563  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.183  -2.487  -0.470  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.868  -1.293   0.203  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.575  -0.071  -0.569  1.00  0.00           N  
HETATM   29  C   UNL     1      -5.311   1.007  -0.091  1.00  0.00           C  
HETATM   30  N   UNL     1      -4.693   2.115   0.294  1.00  0.00           N  
HETATM   31  C   UNL     1      -5.396   3.139   0.748  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.773   3.056   0.821  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.394   1.952   0.438  1.00  0.00           N  
HETATM   34  C   UNL     1      -6.700   0.929  -0.021  1.00  0.00           C  
HETATM   35  H   UNL     1       2.749   0.264   2.799  1.00  0.00           H  
HETATM   36  H   UNL     1       1.576   2.408   3.056  1.00  0.00           H  
HETATM   37  H   UNL     1       1.677   4.103   1.307  1.00  0.00           H  
HETATM   38  H   UNL     1       2.509   4.820  -0.938  1.00  0.00           H  
HETATM   39  H   UNL     1       3.827   4.265  -2.941  1.00  0.00           H  
HETATM   40  H   UNL     1       4.960   2.088  -3.100  1.00  0.00           H  
HETATM   41  H   UNL     1       1.853  -1.329  -2.432  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.523  -1.938  -2.298  1.00  0.00           H  
HETATM   43  H   UNL     1       2.447  -2.730   1.571  1.00  0.00           H  
HETATM   44  H   UNL     1       0.073  -3.342   1.714  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.306  -0.747  -1.158  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.647  -0.934  -2.317  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.789   0.319   0.466  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.958   1.164  -1.092  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.627  -2.660  -1.450  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.301  -3.376   0.148  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.945  -1.457   0.226  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.495  -1.186   1.222  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.893   4.042   1.062  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.344   3.894   1.192  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.208   0.028  -0.334  1.00  0.00           H  
HETATM   56  H   UNL     1       4.159  -1.881  -1.301  1.00  0.00           H  
CONECT    1    2    2   10   35                                       
CONECT    2    3    1    1   36                                       
CONECT    3    4    4    2   37                                       
CONECT    4    5    3    3    9                                       
CONECT    5    6    6    4   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9                                            
CONECT    9    4    8   10   10                                       
CONECT   10    9    9    1   11                                       
CONECT   11   13   13   14   12                                       
CONECT   11   12   10                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   56                                            
CONECT   15   18   14   16   16                                       
CONECT   16   15   15   17   41                                       
CONECT   17   20   20   16   42                                       
CONECT   18   19   19   15   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   21   17   17                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21                                                 
CONECT   23   24   26   21                                            
CONECT   24   25   23   45   46                                       
CONECT   25   28   24   47   48                                       
CONECT   26   27   23   49   50                                       
CONECT   27   28   26   51   52                                       
CONECT   28   29   25   27                                            
CONECT   29   30   30   34   28                                       
CONECT   30   31   29   29                                            
CONECT   31   32   32   30   53                                       
CONECT   32   31   31   33   54                                       
CONECT   33   32   34   34                                            
CONECT   34   33   33   29   55                                       
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   24                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   34                                                      
CONECT   56   14                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
