COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.745  -1.224  -1.102  1.00  0.00           C  
HETATM    2  N   UNL     1       0.614  -1.251  -0.164  1.00  0.00           N  
HETATM    3  C   UNL     1       0.416   0.106   0.377  1.00  0.00           C  
HETATM    4  C   UNL     1       1.796   0.796   0.230  1.00  0.00           C  
HETATM    5  C   UNL     1       2.290   0.219  -1.122  1.00  0.00           C  
HETATM    6  C   UNL     1       2.820  -2.172  -0.636  1.00  0.00           C  
HETATM    7  O   UNL     1       2.664  -2.812   0.382  1.00  0.00           O  
HETATM    8  S   UNL     1       1.615   2.599   0.141  1.00  0.00           S  
HETATM    9  C   UNL     1       3.241   3.188  -0.196  1.00  0.00           C  
HETATM   10  C   UNL     1       4.249   3.003   0.733  1.00  0.00           C  
HETATM   11  C   UNL     1       5.526   3.466   0.468  1.00  0.00           C  
HETATM   12  C   UNL     1       5.793   4.111  -0.724  1.00  0.00           C  
HETATM   13  C   UNL     1       4.785   4.296  -1.652  1.00  0.00           C  
HETATM   14  C   UNL     1       3.510   3.829  -1.390  1.00  0.00           C  
HETATM   15 CL   UNL     1       3.913   2.193   2.231  1.00  0.00          Cl  
HETATM   16  N   UNL     1       3.955  -2.308  -1.350  1.00  0.00           N  
HETATM   17  C   UNL     1       5.000  -3.229  -0.896  1.00  0.00           C  
HETATM   18  C   UNL     1       4.512  -4.481  -0.214  1.00  0.00           C  
HETATM   19  C   UNL     1       6.266  -3.337  -1.750  1.00  0.00           C  
HETATM   20  C   UNL     1       6.312  -2.619  -0.399  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.122  -2.336   0.149  1.00  0.00           C  
HETATM   22  O   UNL     1       0.075  -3.387  -0.422  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.188  -2.243   1.211  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.453  -1.535   0.800  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.467  -0.158   0.679  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.627   0.492   0.303  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.775  -0.236   0.047  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.761  -1.613   0.167  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.599  -2.263   0.539  1.00  0.00           C  
HETATM   30  I   UNL     1      -6.534   0.749  -0.522  1.00  0.00           I  
HETATM   31  C   UNL     1      -1.318  -3.415   2.185  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.729  -2.085   2.661  1.00  0.00           C  
HETATM   33  O   UNL     1       0.863   2.968  -1.008  1.00  0.00           O  
HETATM   34  O   UNL     1       1.306   3.133   1.421  1.00  0.00           O  
HETATM   35  N   UNL     1       3.345  -4.937  -0.473  1.00  0.00           N  
HETATM   36  H   UNL     1       1.407  -1.507  -2.099  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.338   0.639  -0.203  1.00  0.00           H  
HETATM   38  H   UNL     1       0.126   0.058   1.426  1.00  0.00           H  
HETATM   39  H   UNL     1       2.463   0.512   1.044  1.00  0.00           H  
HETATM   40  H   UNL     1       3.379   0.220  -1.166  1.00  0.00           H  
HETATM   41  H   UNL     1       1.869   0.779  -1.958  1.00  0.00           H  
HETATM   42  H   UNL     1       6.314   3.322   1.193  1.00  0.00           H  
HETATM   43  H   UNL     1       6.790   4.473  -0.931  1.00  0.00           H  
HETATM   44  H   UNL     1       4.994   4.801  -2.584  1.00  0.00           H  
HETATM   45  H   UNL     1       2.724   3.970  -2.117  1.00  0.00           H  
HETATM   46  H   UNL     1       4.080  -1.796  -2.164  1.00  0.00           H  
HETATM   47  H   UNL     1       6.745  -4.313  -1.817  1.00  0.00           H  
HETATM   48  H   UNL     1       6.321  -2.723  -2.648  1.00  0.00           H  
HETATM   49  H   UNL     1       6.398  -1.532  -0.409  1.00  0.00           H  
HETATM   50  H   UNL     1       6.822  -3.123   0.422  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.570   0.410   0.880  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.638   1.568   0.210  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.657  -2.182  -0.032  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.587  -3.339   0.628  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.319  -3.673   2.530  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.633  -4.253   2.059  1.00  0.00           H  
HETATM   57  H   UNL     1       0.345  -2.048   2.849  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.342  -1.469   3.319  1.00  0.00           H  
HETATM   59  H   UNL     1       3.031  -5.743  -0.034  1.00  0.00           H  
HETATM   60  H   UNL     1       5.147  -4.992   0.494  1.00  0.00           H  
CONECT    1    2    5    6   36                                       
CONECT    2    1    3   21                                            
CONECT    3    2    4   37   38                                       
CONECT    4    3    5    8   39                                       
CONECT    5    1    4   40   41                                       
CONECT    6    1    7    7   16                                       
CONECT    7    6    6                                                 
CONECT    8    4    9   33   33                                       
CONECT    8   34   34                                                 
CONECT    9    8   10   10   14                                       
CONECT   10    9    9   11   15                                       
CONECT   11   10   12   12   42                                       
CONECT   12   11   11   13   43                                       
CONECT   13   12   14   14   44                                       
CONECT   14    9   13   13   45                                       
CONECT   15   10                                                      
CONECT   16    6   17   46                                            
CONECT   17   16   18   19   20                                       
CONECT   18   17   35   35   60                                       
CONECT   19   17   20   47   48                                       
CONECT   20   17   19   49   50                                       
CONECT   21    2   22   22   23                                       
CONECT   22   21   21                                                 
CONECT   23   21   24   31   32                                       
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   51                                       
CONECT   26   25   27   27   52                                       
CONECT   27   26   26   28   30                                       
CONECT   28   27   29   29   53                                       
CONECT   29   24   28   28   54                                       
CONECT   30   27                                                      
CONECT   31   23   32   55   56                                       
CONECT   32   23   31   57   58                                       
CONECT   33    8    8                                                 
CONECT   34    8    8                                                 
CONECT   35   18   18   59                                            
CONECT   36    1                                                      
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42   11                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   16                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   28                                                      
CONECT   54   29                                                      
CONECT   55   31                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   35                                                      
CONECT   60   18                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
