COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.161   2.263  -0.749  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.339   1.311  -0.656  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.712   1.119  -1.247  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.583  -2.728   1.310  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.556  -2.478  -0.229  1.00  0.00           C  
HETATM    6  C   UNL     1       3.839   2.576   0.725  1.00  0.00           C  
HETATM    7  C   UNL     1       2.428   2.466   0.205  1.00  0.00           C  
HETATM    8  C   UNL     1       1.782   3.588  -0.278  1.00  0.00           C  
HETATM    9  C   UNL     1       0.489   3.490  -0.755  1.00  0.00           C  
HETATM   10  N   UNL     1      -1.468   2.160  -1.237  1.00  0.00           N  
HETATM   11  O   UNL     1      -2.017   0.701   0.341  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.461   0.153  -0.439  1.00  0.00           N  
HETATM   13  C   UNL     1      -5.231   0.483   0.604  1.00  0.00           C  
HETATM   14  O   UNL     1      -5.391   1.623   0.992  1.00  0.00           O  
HETATM   15  N   UNL     1      -5.810  -0.589   1.175  1.00  0.00           N  
HETATM   16  C   UNL     1      -5.362  -1.766   0.410  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.463  -1.177  -0.658  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.867  -1.777  -1.527  1.00  0.00           O  
HETATM   19  C   UNL     1       0.491   1.138  -0.262  1.00  0.00           C  
HETATM   20  C   UNL     1       1.784   1.242   0.213  1.00  0.00           C  
HETATM   21  S   UNL     1       2.612  -0.185   0.830  1.00  0.00           S  
HETATM   22  O   UNL     1       3.157   0.181   2.091  1.00  0.00           O  
HETATM   23  O   UNL     1       1.717  -1.275   0.657  1.00  0.00           O  
HETATM   24  N   UNL     1       3.901  -0.474  -0.169  1.00  0.00           N  
HETATM   25  C   UNL     1       5.276   0.002   0.201  1.00  0.00           C  
HETATM   26  C   UNL     1       6.075  -1.177   0.535  1.00  0.00           C  
HETATM   27  C   UNL     1       6.180  -2.202  -0.590  1.00  0.00           C  
HETATM   28  C   UNL     1       5.013  -3.126  -0.399  1.00  0.00           C  
HETATM   29  C   UNL     1       3.838  -2.727  -1.324  1.00  0.00           C  
HETATM   30  C   UNL     1       3.722  -1.189  -1.400  1.00  0.00           C  
HETATM   31  H   UNL     1      -4.240   2.072  -1.256  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.620   0.745  -2.267  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.207  -3.559   0.714  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.745  -2.200   1.766  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.240  -3.109   2.091  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.213  -2.859   0.553  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.105  -1.776  -0.855  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.200  -3.308  -0.840  1.00  0.00           H  
HETATM   39  H   UNL     1       4.539   2.300  -0.064  1.00  0.00           H  
HETATM   40  H   UNL     1       4.031   3.602   1.038  1.00  0.00           H  
HETATM   41  H   UNL     1       3.966   1.906   1.575  1.00  0.00           H  
HETATM   42  H   UNL     1       2.288   4.542  -0.283  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.015   4.367  -1.133  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.748   2.700  -1.993  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.405  -0.587   1.941  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.012   0.182  -0.256  1.00  0.00           H  
HETATM   47  H   UNL     1       5.725   0.527  -0.642  1.00  0.00           H  
HETATM   48  H   UNL     1       5.218   0.666   1.064  1.00  0.00           H  
HETATM   49  H   UNL     1       7.080  -0.850   0.800  1.00  0.00           H  
HETATM   50  H   UNL     1       5.631  -1.661   1.404  1.00  0.00           H  
HETATM   51  H   UNL     1       6.115  -1.707  -1.559  1.00  0.00           H  
HETATM   52  H   UNL     1       7.117  -2.753  -0.511  1.00  0.00           H  
HETATM   53  H   UNL     1       5.321  -4.146  -0.630  1.00  0.00           H  
HETATM   54  H   UNL     1       4.683  -3.077   0.639  1.00  0.00           H  
HETATM   55  H   UNL     1       4.012  -3.127  -2.323  1.00  0.00           H  
HETATM   56  H   UNL     1       2.909  -3.137  -0.927  1.00  0.00           H  
HETATM   57  H   UNL     1       2.736  -0.941  -1.793  1.00  0.00           H  
HETATM   58  H   UNL     1       4.465  -0.827  -2.111  1.00  0.00           H  
CONECT    1   10    9    9   19                                       
CONECT    2    3   10   11   11                                       
CONECT    3   12    2   31   32                                       
CONECT    4   16   33   34   35                                       
CONECT    5   16   36   37   38                                       
CONECT    6    7   39   40   41                                       
CONECT    7    8    8   20    6                                       
CONECT    8    9    7    7   42                                       
CONECT    9    1    1    8   43                                       
CONECT   10    2    1   44                                            
CONECT   11    2    2                                                 
CONECT   12   17    3   13                                            
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   45                                            
CONECT   16    5   17    4   15                                       
CONECT   17   18   18   16   12                                       
CONECT   18   17   17                                                 
CONECT   19    1   20   20   46                                       
CONECT   20   19   19    7   21                                       
CONECT   21   20   23   23   24                                       
CONECT   21   22   22                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   30   21   25                                            
CONECT   25   24   26   47   48                                       
CONECT   26   25   27   49   50                                       
CONECT   27   28   26   51   52                                       
CONECT   28   29   27   53   54                                       
CONECT   29   30   28   55   56                                       
CONECT   30   29   24   57   58                                       
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   15                                                      
CONECT   46   19                                                      
CONECT   47   25                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   28                                                      
CONECT   55   29                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
