COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK     1       3.632   1.776   1.281  1.00  0.00           C  
HETATM    2  C   UNK     1       3.562   2.550  -0.037  1.00  0.00           C  
HETATM    3  C   UNK     1       3.099   4.007   0.024  1.00  0.00           C  
HETATM    4  C   UNK     1       4.570   3.683  -0.245  1.00  0.00           C  
HETATM    5  C   UNK     1      -0.884  -1.069   3.088  1.00  0.00           C  
HETATM    6  C   UNK     1      -6.015  -4.901  -0.879  1.00  0.00           C  
HETATM    7  C   UNK     1      -5.060  -3.558  -2.678  1.00  0.00           C  
HETATM    8  C   UNK     1      -1.150  -1.972   0.868  1.00  0.00           C  
HETATM    9  C   UNK     1       0.729   1.616   2.425  1.00  0.00           C  
HETATM   10  N   UNK     1      -3.059   3.516  -2.783  1.00  0.00           N  
HETATM   11  S   UNK     1      -2.899   4.486  -1.451  1.00  0.00           S  
HETATM   12  O   UNK     1      -4.180   4.539  -0.838  1.00  0.00           O  
HETATM   13  C   UNK     1      -1.840   3.647  -0.319  1.00  0.00           C  
HETATM   14  C   UNK     1      -2.242   2.450   0.248  1.00  0.00           C  
HETATM   15  C   UNK     1      -1.409   1.792   1.137  1.00  0.00           C  
HETATM   16  C   UNK     1      -0.178   2.331   1.457  1.00  0.00           C  
HETATM   17  C   UNK     1       0.223   3.527   0.890  1.00  0.00           C  
HETATM   18  C   UNK     1      -0.606   4.182  -0.002  1.00  0.00           C  
HETATM   19  C   UNK     1       1.461   0.512   1.705  1.00  0.00           C  
HETATM   20  C   UNK     1       2.716   0.582   1.211  1.00  0.00           C  
HETATM   21  N   UNK     1       3.006  -0.618   0.640  1.00  0.00           N  
HETATM   22  C   UNK     1       4.203  -0.959   0.016  1.00  0.00           C  
HETATM   23  N   UNK     1       4.462  -2.105  -0.529  1.00  0.00           N  
HETATM   24  C   UNK     1       5.674  -2.226  -1.075  1.00  0.00           C  
HETATM   25  C   UNK     1       6.124  -3.461  -1.734  1.00  0.00           C  
HETATM   26  O   UNK     1       5.302  -4.528  -1.801  1.00  0.00           O  
HETATM   27  O   UNK     1       7.238  -3.522  -2.217  1.00  0.00           O  
HETATM   28  C   UNK     1       6.456  -1.128  -0.978  1.00  0.00           C  
HETATM   29  S   UNK     1       5.595   0.103  -0.162  1.00  0.00           S  
HETATM   30  N   UNK     1       1.889  -1.450   0.790  1.00  0.00           N  
HETATM   31  C   UNK     1       0.960  -0.776   1.434  1.00  0.00           C  
HETATM   32  C   UNK     1      -0.385  -1.283   1.803  1.00  0.00           C  
HETATM   33  C   UNK     1      -2.413  -2.445   1.220  1.00  0.00           C  
HETATM   34  C   UNK     1      -3.204  -3.161   0.265  1.00  0.00           C  
HETATM   35  C   UNK     1      -3.852  -3.747  -0.518  1.00  0.00           C  
HETATM   36  C   UNK     1      -4.666  -4.483  -1.500  1.00  0.00           C  
HETATM   37  C   UNK     1      -6.266  -2.772  -2.107  1.00  0.00           C  
HETATM   38  C   UNK     1      -7.032  -3.813  -1.265  1.00  0.00           C  
HETATM   39  C   UNK     1      -2.905  -2.219   2.509  1.00  0.00           C  
HETATM   40  C   UNK     1      -2.135  -1.538   3.435  1.00  0.00           C  
HETATM   41  F   UNK     1      -4.128  -2.676   2.855  1.00  0.00           F  
HETATM   42  F   UNK     1      -3.446   1.924  -0.066  1.00  0.00           F  
HETATM   43  O   UNK     1      -2.193   5.642  -1.879  1.00  0.00           O  
HETATM   44  H   UNK     1       4.655   1.440   1.451  1.00  0.00           H  
HETATM   45  H   UNK     1       3.322   2.425   2.101  1.00  0.00           H  
HETATM   46  H   UNK     1       3.274   1.966  -0.910  1.00  0.00           H  
HETATM   47  H   UNK     1       2.506   4.382  -0.810  1.00  0.00           H  
HETATM   48  H   UNK     1       2.844   4.414   1.003  1.00  0.00           H  
HETATM   49  H   UNK     1       5.283   3.876   0.557  1.00  0.00           H  
HETATM   50  H   UNK     1       4.944   3.844  -1.256  1.00  0.00           H  
HETATM   51  H   UNK     1      -0.287  -0.538   3.815  1.00  0.00           H  
HETATM   52  H   UNK     1      -6.328  -5.865  -1.281  1.00  0.00           H  
HETATM   53  H   UNK     1      -5.924  -4.960   0.205  1.00  0.00           H  
HETATM   54  H   UNK     1      -4.243  -2.883  -2.930  1.00  0.00           H  
HETATM   55  H   UNK     1      -5.356  -4.145  -3.548  1.00  0.00           H  
HETATM   56  H   UNK     1      -0.765  -2.144  -0.126  1.00  0.00           H  
HETATM   57  H   UNK     1       1.450   2.322   2.837  1.00  0.00           H  
HETATM   58  H   UNK     1       0.135   1.190   3.233  1.00  0.00           H  
HETATM   59  H   UNK     1      -2.438   3.602  -3.524  1.00  0.00           H  
HETATM   60  H   UNK     1      -3.773   2.861  -2.824  1.00  0.00           H  
HETATM   61  H   UNK     1      -1.722   0.858   1.581  1.00  0.00           H  
HETATM   62  H   UNK     1       1.185   3.948   1.141  1.00  0.00           H  
HETATM   63  H   UNK     1      -0.290   5.114  -0.447  1.00  0.00           H  
HETATM   64  H   UNK     1       5.642  -5.317  -2.244  1.00  0.00           H  
HETATM   65  H   UNK     1       7.462  -1.041  -1.360  1.00  0.00           H  
HETATM   66  H   UNK     1      -4.125  -5.357  -1.863  1.00  0.00           H  
HETATM   67  H   UNK     1      -5.922  -1.951  -1.478  1.00  0.00           H  
HETATM   68  H   UNK     1      -6.894  -2.395  -2.915  1.00  0.00           H  
HETATM   69  H   UNK     1      -7.839  -4.249  -1.854  1.00  0.00           H  
HETATM   70  H   UNK     1      -7.435  -3.344  -0.368  1.00  0.00           H  
HETATM   71  H   UNK     1      -2.514  -1.373   4.433  1.00  0.00           H  
CONECT    1   20    2   44   45                                       
CONECT    2    1    3    4   46                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    2   49   50                                       
CONECT    5   32   40   40   51                                       
CONECT    6   38   36   52   53                                       
CONECT    7   36   37   54   55                                       
CONECT    8   32   32   33   56                                       
CONECT    9   16   19   57   58                                       
CONECT   10   11   59   60                                            
CONECT   11   43   43   10   12                                       
CONECT   11   12   13                                                 
CONECT   12   11   11                                                 
CONECT   13   11   14   14   18                                       
CONECT   14   42   13   13   15                                       
CONECT   15   14   16   16   61                                       
CONECT   16   15   15   17    9                                       
CONECT   17   18   18   16   62                                       
CONECT   18   13   17   17   63                                       
CONECT   19   20   20   31    9                                       
CONECT   20   21    1   19   19                                       
CONECT   21   22   20   30                                            
CONECT   22   23   23   21   29                                       
CONECT   23   24   22   22                                            
CONECT   24   25   23   28   28                                       
CONECT   25   27   27   26   24                                       
CONECT   26   25   64                                                 
CONECT   27   25   25                                                 
CONECT   28   24   24   29   65                                       
CONECT   29   28   22                                                 
CONECT   30   21   31   31                                            
CONECT   31   30   30   19   32                                       
CONECT   32   31    8    8    5                                       
CONECT   33    8   34   39   39                                       
CONECT   34   33   35   35   35                                       
CONECT   35   34   34   34   36                                       
CONECT   36    6   35    7   66                                       
CONECT   37   38    7   67   68                                       
CONECT   38    6   37   69   70                                       
CONECT   39   33   33   40   41                                       
CONECT   40    5    5   39   71                                       
CONECT   41   39                                                      
CONECT   42   14                                                      
CONECT   43   11   11                                                 
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    6                                                      
CONECT   54    7                                                      
CONECT   55    7                                                      
CONECT   56    8                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   26                                                      
CONECT   65   28                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   38                                                      
CONECT   71   40                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
