COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.005  -3.343   0.522  1.00  0.00           O  
HETATM    2  S   UNL     1       2.698  -2.140   1.214  1.00  0.00           S  
HETATM    3  O   UNL     1       2.966  -2.006   2.603  1.00  0.00           O  
HETATM    4  C   UNL     1       3.326  -0.703   0.303  1.00  0.00           C  
HETATM    5  C   UNL     1       4.856  -0.707   0.335  1.00  0.00           C  
HETATM    6  C   UNL     1       5.377   0.487  -0.422  1.00  0.00           C  
HETATM    7  C   UNL     1       5.733   0.361  -1.752  1.00  0.00           C  
HETATM    8  C   UNL     1       6.212   1.454  -2.449  1.00  0.00           C  
HETATM    9  C   UNL     1       6.336   2.679  -1.819  1.00  0.00           C  
HETATM   10  C   UNL     1       5.981   2.812  -0.487  1.00  0.00           C  
HETATM   11  O   UNL     1       6.102   4.017   0.133  1.00  0.00           O  
HETATM   12  C   UNL     1       5.494   1.713   0.213  1.00  0.00           C  
HETATM   13  O   UNL     1       5.139   1.839   1.520  1.00  0.00           O  
HETATM   14  N   UNL     1       1.051  -2.014   1.102  1.00  0.00           N  
HETATM   15  C   UNL     1       0.395  -2.130  -0.203  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.106  -2.352  -0.001  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.699  -1.180   0.582  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.033  -1.068   0.039  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.850  -1.459  -1.450  1.00  0.00           C  
HETATM   20  O   UNL     1      -4.073  -1.952  -2.001  1.00  0.00           O  
HETATM   21  C   UNL     1      -1.789  -2.582  -1.363  1.00  0.00           C  
HETATM   22  O   UNL     1      -2.416  -3.866  -1.398  1.00  0.00           O  
HETATM   23  N   UNL     1      -3.523   0.307   0.155  1.00  0.00           N  
HETATM   24  C   UNL     1      -2.758   1.430   0.260  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.520   2.481   0.345  1.00  0.00           N  
HETATM   26  C   UNL     1      -4.820   2.101   0.301  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.050   2.778   0.350  1.00  0.00           C  
HETATM   28  N   UNL     1      -6.096   4.156   0.470  1.00  0.00           N  
HETATM   29  N   UNL     1      -7.169   2.064   0.278  1.00  0.00           N  
HETATM   30  C   UNL     1      -7.135   0.749   0.164  1.00  0.00           C  
HETATM   31  N   UNL     1      -6.006   0.073   0.114  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.837   0.701   0.173  1.00  0.00           C  
HETATM   33  H   UNL     1       2.984  -0.750  -0.730  1.00  0.00           H  
HETATM   34  H   UNL     1       2.955   0.211   0.767  1.00  0.00           H  
HETATM   35  H   UNL     1       5.198  -0.660   1.369  1.00  0.00           H  
HETATM   36  H   UNL     1       5.226  -1.621  -0.129  1.00  0.00           H  
HETATM   37  H   UNL     1       5.637  -0.594  -2.247  1.00  0.00           H  
HETATM   38  H   UNL     1       6.490   1.352  -3.488  1.00  0.00           H  
HETATM   39  H   UNL     1       6.711   3.532  -2.366  1.00  0.00           H  
HETATM   40  H   UNL     1       5.312   4.572   0.072  1.00  0.00           H  
HETATM   41  H   UNL     1       5.861   1.671   2.142  1.00  0.00           H  
HETATM   42  H   UNL     1       0.520  -1.863   1.900  1.00  0.00           H  
HETATM   43  H   UNL     1       0.553  -1.214  -0.772  1.00  0.00           H  
HETATM   44  H   UNL     1       0.817  -2.974  -0.748  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.269  -3.213   0.648  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.710  -1.760   0.539  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.476  -0.615  -2.030  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.009  -2.209  -2.931  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.066  -2.488  -2.173  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.862  -4.064  -2.233  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.678   1.446   0.270  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.272   4.666   0.521  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.951   4.612   0.502  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.068   0.208   0.109  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   14    1    1    4                                       
CONECT    2    3    3                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5   12   12    7                                       
CONECT    7    6    8    8   37                                       
CONECT    8    7    7    9   38                                       
CONECT    9   10   10    8   39                                       
CONECT   10   12   11    9    9                                       
CONECT   11   10   40                                                 
CONECT   12   13    6    6   10                                       
CONECT   13   12   41                                                 
CONECT   14   15    2   42                                            
CONECT   15   14   16   43   44                                       
CONECT   16   15   21   17   45                                       
CONECT   17   16   18                                                 
CONECT   18   19   17   23   46                                       
CONECT   19   20   21   18   47                                       
CONECT   20   19   48                                                 
CONECT   21   22   16   19   49                                       
CONECT   22   21   50                                                 
CONECT   23   18   24   32                                            
CONECT   24   23   25   25   51                                       
CONECT   25   24   24   26                                            
CONECT   26   32   25   27   27                                       
CONECT   27   26   26   29   28                                       
CONECT   28   27   52   53                                            
CONECT   29   30   30   27                                            
CONECT   30   31   29   29   54                                       
CONECT   31   32   32   30                                            
CONECT   32   23   31   31   26                                       
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   20                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   28                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
