COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNL     1      -3.592   2.522  -0.052  1.00  0.00           F  
HETATM    2  C   UNL     1      -2.275   2.986  -0.134  1.00  0.00           C  
HETATM    3  F   UNL     1      -2.272   4.298  -0.618  1.00  0.00           F  
HETATM    4  F   UNL     1      -1.691   2.956   1.137  1.00  0.00           F  
HETATM    5  C   UNL     1      -1.488   2.104  -1.069  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.132   1.927  -0.874  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.125   1.467  -2.118  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.403   0.658  -2.975  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.045   0.486  -2.784  1.00  0.00           C  
HETATM   10  C   UNL     1       0.590   1.118  -1.732  1.00  0.00           C  
HETATM   11  C   UNL     1       2.070   0.926  -1.520  1.00  0.00           C  
HETATM   12  C   UNL     1       2.302  -0.276  -0.602  1.00  0.00           C  
HETATM   13  C   UNL     1       3.772  -0.395  -0.291  1.00  0.00           C  
HETATM   14  O   UNL     1       4.377  -1.400  -0.598  1.00  0.00           O  
HETATM   15  N   UNL     1       4.413   0.616   0.328  1.00  0.00           N  
HETATM   16  C   UNL     1       3.800   1.885   0.761  1.00  0.00           C  
HETATM   17  C   UNL     1       4.711   2.395   1.906  1.00  0.00           C  
HETATM   18  C   UNL     1       6.115   1.976   1.398  1.00  0.00           C  
HETATM   19  C   UNL     1       5.838   0.633   0.690  1.00  0.00           C  
HETATM   20  N   UNL     1       1.844  -1.497  -1.271  1.00  0.00           N  
HETATM   21  S   UNL     1       1.155  -2.716  -0.388  1.00  0.00           S  
HETATM   22  O   UNL     1       0.793  -3.729  -1.316  1.00  0.00           O  
HETATM   23  O   UNL     1       2.018  -2.948   0.718  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.351  -2.091   0.279  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.528  -2.218  -0.431  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.717  -1.730   0.087  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.976  -1.888  -0.727  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.202  -1.678   0.161  1.00  0.00           C  
HETATM   29  N   UNL     1      -5.031  -0.419   0.903  1.00  0.00           N  
HETATM   30  C   UNL     1      -3.994  -0.571   1.929  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.727  -1.114   1.321  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.542  -0.984   2.034  1.00  0.00           C  
HETATM   33  F   UNL     1      -1.548  -0.379   3.242  1.00  0.00           F  
HETATM   34  C   UNL     1      -0.358  -1.476   1.517  1.00  0.00           C  
HETATM   35  H   UNL     1       0.365   2.421  -0.052  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.186   1.601  -2.267  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.901   0.160  -3.794  1.00  0.00           H  
HETATM   38  H   UNL     1       0.519  -0.146  -3.454  1.00  0.00           H  
HETATM   39  H   UNL     1       2.555   0.748  -2.480  1.00  0.00           H  
HETATM   40  H   UNL     1       2.490   1.820  -1.060  1.00  0.00           H  
HETATM   41  H   UNL     1       1.744  -0.139   0.324  1.00  0.00           H  
HETATM   42  H   UNL     1       3.789   2.601  -0.062  1.00  0.00           H  
HETATM   43  H   UNL     1       2.789   1.712   1.128  1.00  0.00           H  
HETATM   44  H   UNL     1       4.640   3.477   2.009  1.00  0.00           H  
HETATM   45  H   UNL     1       4.471   1.898   2.846  1.00  0.00           H  
HETATM   46  H   UNL     1       6.507   2.712   0.696  1.00  0.00           H  
HETATM   47  H   UNL     1       6.801   1.834   2.233  1.00  0.00           H  
HETATM   48  H   UNL     1       6.060  -0.196   1.362  1.00  0.00           H  
HETATM   49  H   UNL     1       6.449   0.557  -0.209  1.00  0.00           H  
HETATM   50  H   UNL     1       1.945  -1.590  -2.231  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.522  -2.701  -1.397  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.981  -1.153  -1.532  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.007  -2.891  -1.153  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.097  -1.619  -0.459  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.295  -2.509   0.860  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.903  -0.119   1.313  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.789   0.399   2.380  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.346  -1.258   2.698  1.00  0.00           H  
HETATM   59  H   UNL     1       0.561  -1.373   2.075  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    4    5    3    1                                       
CONECT    3    2                                                      
CONECT    4    2                                                      
CONECT    5    7    2    6    6                                       
CONECT    6    5    5   10   35                                       
CONECT    7    8    8    5   36                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   10   10   38                                       
CONECT   10    9    9    6   11                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   20   13   41                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   19                                            
CONECT   16   17   15   42   43                                       
CONECT   17   16   18   44   45                                       
CONECT   18   17   19   46   47                                       
CONECT   19   15   18   48   49                                       
CONECT   20   12   21   50                                            
CONECT   21   24   20   22   22                                       
CONECT   21   23   23                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   34   34   25   21                                       
CONECT   25   26   26   24   51                                       
CONECT   26   31   27   25   25                                       
CONECT   27   28   26   52   53                                       
CONECT   28   29   27   54   55                                       
CONECT   29   30   28   56                                            
CONECT   30   29   31   57   58                                       
CONECT   31   30   32   32   26                                       
CONECT   32   33   31   31   34                                       
CONECT   33   32                                                      
CONECT   34   32   24   24   59                                       
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   30                                                      
CONECT   58   30                                                      
CONECT   59   34                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
