COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.630   0.577  -0.072  1.00  0.00           C  
HETATM    2  C   UNL     1       1.928   1.502   1.910  1.00  0.00           C  
HETATM    3  C   UNL     1       2.520   0.261   2.038  1.00  0.00           C  
HETATM    4  C   UNL     1       2.179   2.279   0.794  1.00  0.00           C  
HETATM    5  C   UNL     1       3.030   1.817  -0.197  1.00  0.00           C  
HETATM    6  C   UNL     1       3.114  -3.728  -1.464  1.00  0.00           C  
HETATM    7  C   UNL     1       3.466  -5.431   0.220  1.00  0.00           C  
HETATM    8  C   UNL     1       4.899  -3.481   0.153  1.00  0.00           C  
HETATM    9  C   UNL     1       5.840  -3.994  -0.940  1.00  0.00           C  
HETATM   10  C   UNL     1       7.251  -3.457  -0.691  1.00  0.00           C  
HETATM   11  C   UNL     1       7.226  -1.927  -0.716  1.00  0.00           C  
HETATM   12  C   UNL     1       6.286  -1.415   0.376  1.00  0.00           C  
HETATM   13  C   UNL     1       4.875  -1.952   0.128  1.00  0.00           C  
HETATM   14  C   UNL     1       3.374  -0.206   1.046  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.680   2.942  -0.662  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.049   1.335   0.144  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.756   1.601  -1.031  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.925   0.904  -1.325  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.396  -0.059  -0.454  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.966  -1.720   0.205  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.259  -2.375  -0.287  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.663  -3.519   0.659  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.049  -3.151   1.228  1.00  0.00           C  
HETATM   24  C   UNL     1      -9.645  -2.181   0.178  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.413  -1.351  -0.260  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.700  -0.332   0.720  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.548   0.348   1.020  1.00  0.00           C  
HETATM   28  F   UNL     1       3.274   2.579  -1.286  1.00  0.00           F  
HETATM   29  N   UNL     1       3.545  -3.997  -0.086  1.00  0.00           N  
HETATM   30  N   UNL     1       3.974  -1.461   1.174  1.00  0.00           N  
HETATM   31  N   UNL     1       0.410   3.790  -0.675  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.942   2.097   0.274  1.00  0.00           N  
HETATM   33  O   UNL     1       0.588   4.023   1.775  1.00  0.00           O  
HETATM   34  O   UNL     1       2.457   4.771   0.293  1.00  0.00           O  
HETATM   35  O   UNL     1      -5.538  -0.739  -0.742  1.00  0.00           O  
HETATM   36  S   UNL     1       1.420   3.861   0.635  1.00  0.00           S  
HETATM   37  S   UNL     1      -1.909   2.867  -1.917  1.00  0.00           S  
HETATM   38  H   UNL     1       4.293   0.217  -0.844  1.00  0.00           H  
HETATM   39  H   UNL     1       1.264   1.865   2.680  1.00  0.00           H  
HETATM   40  H   UNL     1       2.323  -0.344   2.910  1.00  0.00           H  
HETATM   41  H   UNL     1       3.800  -4.212  -2.160  1.00  0.00           H  
HETATM   42  H   UNL     1       2.108  -4.120  -1.614  1.00  0.00           H  
HETATM   43  H   UNL     1       3.115  -2.653  -1.642  1.00  0.00           H  
HETATM   44  H   UNL     1       4.151  -5.979  -0.427  1.00  0.00           H  
HETATM   45  H   UNL     1       3.740  -5.596   1.262  1.00  0.00           H  
HETATM   46  H   UNL     1       2.448  -5.784   0.052  1.00  0.00           H  
HETATM   47  H   UNL     1       5.252  -3.823   1.126  1.00  0.00           H  
HETATM   48  H   UNL     1       5.858  -5.084  -0.922  1.00  0.00           H  
HETATM   49  H   UNL     1       5.487  -3.652  -1.913  1.00  0.00           H  
HETATM   50  H   UNL     1       7.604  -3.799   0.282  1.00  0.00           H  
HETATM   51  H   UNL     1       7.921  -3.822  -1.470  1.00  0.00           H  
HETATM   52  H   UNL     1       8.231  -1.545  -0.539  1.00  0.00           H  
HETATM   53  H   UNL     1       6.873  -1.586  -1.689  1.00  0.00           H  
HETATM   54  H   UNL     1       6.639  -1.756   1.349  1.00  0.00           H  
HETATM   55  H   UNL     1       6.268  -0.325   0.358  1.00  0.00           H  
HETATM   56  H   UNL     1       4.522  -1.610  -0.845  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.465   1.116  -2.236  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.145  -1.242   1.168  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.193  -2.480   0.314  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.121  -2.757  -1.299  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.723  -4.457   0.106  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.938  -3.609   1.468  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.671  -4.041   1.321  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.946  -2.656   2.193  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.060  -2.732  -0.666  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.404  -1.541   0.630  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.206  -0.563   0.464  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.571  -0.928  -1.252  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.070  -1.085   1.400  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.017   0.126   1.935  1.00  0.00           H  
HETATM   71  H   UNL     1       3.795  -2.007   1.955  1.00  0.00           H  
HETATM   72  H   UNL     1       0.583   4.345  -1.452  1.00  0.00           H  
CONECT    1    5    5   14   38                                       
CONECT    2    4    4    3   39                                       
CONECT    3    2   14   14   40                                       
CONECT    4   36    2    2    5                                       
CONECT    5    4   28    1    1                                       
CONECT    6   29   41   42   43                                       
CONECT    7   29   44   45   46                                       
CONECT    8   13    9   29   47                                       
CONECT    9   10    8   48   49                                       
CONECT   10   11    9   50   51                                       
CONECT   11   12   10   52   53                                       
CONECT   12   11   13   54   55                                       
CONECT   13   12   30    8   56                                       
CONECT   14    3    3    1   30                                       
CONECT   15   32   32   31   37                                       
CONECT   16   27   32   17   17                                       
CONECT   17   16   16   18   37                                       
CONECT   18   19   19   17   57                                       
CONECT   19   26   35   18   18                                       
CONECT   20   21   35   58   59                                       
CONECT   21   25   20   22   60                                       
CONECT   22   21   23   61   62                                       
CONECT   23   24   22   63   64                                       
CONECT   24   25   23   65   66                                       
CONECT   25   24   21   67   68                                       
CONECT   26   27   27   19   69                                       
CONECT   27   26   26   16   70                                       
CONECT   28    5                                                      
CONECT   29    8    6    7                                            
CONECT   30   14   13   71                                            
CONECT   31   15   36   72                                            
CONECT   32   16   15   15                                            
CONECT   33   36   36                                                 
CONECT   34   36   36                                                 
CONECT   35   20   19                                                 
CONECT   36   31   34   34   33                                       
CONECT   36   33    4                                                 
CONECT   37   17   15                                                 
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    3                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    9                                                      
CONECT   49    9                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   18                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   27                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
