COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.279   0.324   0.206  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.867   1.696  -0.001  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.044   2.819   0.024  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.592   4.086  -0.173  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.947   4.226  -0.392  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.767   3.111  -0.417  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.227   1.843  -0.222  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.058   0.717  -0.254  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.320   0.796   0.211  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.720   1.831   0.711  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.214  -0.366   0.114  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.480  -0.390   0.543  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.161  -1.604   0.354  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.493  -1.937   0.699  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.984  -3.177   0.436  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.189  -4.139  -0.176  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.892  -3.846  -0.522  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.365  -2.577  -0.261  1.00  0.00           C  
HETATM   19  S   UNL     1      -4.769  -1.911  -0.589  1.00  0.00           S  
HETATM   20  F   UNL     1      -4.093   3.254  -0.632  1.00  0.00           F  
HETATM   21  C   UNL     1       1.413   2.668   0.261  1.00  0.00           C  
HETATM   22  C   UNL     1       2.212   2.007  -0.694  1.00  0.00           C  
HETATM   23  C   UNL     1       3.552   1.869  -0.474  1.00  0.00           C  
HETATM   24  C   UNL     1       4.115   2.396   0.716  1.00  0.00           C  
HETATM   25  O   UNL     1       5.311   2.284   0.933  1.00  0.00           O  
HETATM   26  N   UNL     1       3.320   3.022   1.607  1.00  0.00           N  
HETATM   27  N   UNL     1       1.949   3.156   1.357  1.00  0.00           N  
HETATM   28  N   UNL     1       4.357   1.217  -1.407  1.00  0.00           N  
HETATM   29  C   UNL     1       5.089   0.084  -1.031  1.00  0.00           C  
HETATM   30  C   UNL     1       5.018  -0.568   0.213  1.00  0.00           C  
HETATM   31  C   UNL     1       5.870  -1.609   0.179  1.00  0.00           C  
HETATM   32  N   UNL     1       6.465  -1.622  -1.038  1.00  0.00           N  
HETATM   33  N   UNL     1       5.957  -0.558  -1.781  1.00  0.00           N  
HETATM   34  C   UNL     1       7.465  -2.617  -1.441  1.00  0.00           C  
HETATM   35  C   UNL     1       7.987  -3.312  -0.178  1.00  0.00           C  
HETATM   36  N   UNL     1       6.856  -3.762   0.645  1.00  0.00           N  
HETATM   37  C   UNL     1       6.163  -2.616   1.263  1.00  0.00           C  
HETATM   38  C   UNL     1       7.300  -4.721   1.665  1.00  0.00           C  
HETATM   39  H   UNL     1      -0.061  -0.127  -0.762  1.00  0.00           H  
HETATM   40  H   UNL     1       0.641   0.406   0.784  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.993  -0.300   0.745  1.00  0.00           H  
HETATM   42  H   UNL     1       0.045   4.958  -0.154  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.369   5.208  -0.544  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.724  -0.122  -0.610  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.947   0.467   1.005  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.124  -1.201   1.175  1.00  0.00           H  
HETATM   47  H   UNL     1     -10.002  -3.417   0.705  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.592  -5.120  -0.379  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.279  -4.597  -0.996  1.00  0.00           H  
HETATM   50  H   UNL     1       1.766   1.611  -1.594  1.00  0.00           H  
HETATM   51  H   UNL     1       3.700   3.384   2.422  1.00  0.00           H  
HETATM   52  H   UNL     1       4.411   1.549  -2.317  1.00  0.00           H  
HETATM   53  H   UNL     1       4.393  -0.285   1.047  1.00  0.00           H  
HETATM   54  H   UNL     1       7.005  -3.353  -2.102  1.00  0.00           H  
HETATM   55  H   UNL     1       8.288  -2.123  -1.958  1.00  0.00           H  
HETATM   56  H   UNL     1       8.594  -4.172  -0.461  1.00  0.00           H  
HETATM   57  H   UNL     1       8.595  -2.612   0.395  1.00  0.00           H  
HETATM   58  H   UNL     1       6.800  -2.169   2.026  1.00  0.00           H  
HETATM   59  H   UNL     1       5.227  -2.950   1.712  1.00  0.00           H  
HETATM   60  H   UNL     1       6.445  -5.038   2.262  1.00  0.00           H  
HETATM   61  H   UNL     1       7.745  -5.589   1.178  1.00  0.00           H  
HETATM   62  H   UNL     1       8.039  -4.248   2.311  1.00  0.00           H  
CONECT    1    2   39   40   41                                       
CONECT    2    3    3    7    1                                       
CONECT    3    4   21    2    2                                       
CONECT    4    5    5    3   42                                       
CONECT    5    4    4    6   43                                       
CONECT    6    5   20    7    7                                       
CONECT    7    6    6    2    8                                       
CONECT    8    7    9   44                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   12   19                                       
CONECT   12   11   11   13   45                                       
CONECT   13   12   18   18   14                                       
CONECT   14   13   15   15   46                                       
CONECT   15   14   14   16   47                                       
CONECT   16   17   17   15   48                                       
CONECT   17   18   16   16   49                                       
CONECT   18   19   13   13   17                                       
CONECT   19   11   18                                                 
CONECT   20    6                                                      
CONECT   21   22    3   27   27                                       
CONECT   22   23   23   21   50                                       
CONECT   23   28   22   22   24                                       
CONECT   24   23   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   51                                            
CONECT   27   21   21   26                                            
CONECT   28   29   23   52                                            
CONECT   29   30   33   33   28                                       
CONECT   30   31   31   29   53                                       
CONECT   31   37   32   30   30                                       
CONECT   32   31   34   33                                            
CONECT   33   32   29   29                                            
CONECT   34   35   32   54   55                                       
CONECT   35   36   34   56   57                                       
CONECT   36   38   37   35                                            
CONECT   37   36   31   58   59                                       
CONECT   38   36   60   61   62                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    8                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   17                                                      
CONECT   50   22                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   30                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   35                                                      
CONECT   58   37                                                      
CONECT   59   37                                                      
CONECT   60   38                                                      
CONECT   61   38                                                      
CONECT   62   38                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
