COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.049   0.660   0.209  1.00  0.00           N  
HETATM    2  N   UNL     1       5.108   2.610  -0.985  1.00  0.00           N  
HETATM    3  C   UNL     1       1.609   1.101   0.148  1.00  0.00           C  
HETATM    4  C   UNL     1       0.373   0.467   0.131  1.00  0.00           C  
HETATM    5  C   UNL     1       0.308  -0.936   0.146  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.408  -0.794  -2.052  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.710  -1.697   1.364  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.873   1.269   0.097  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.744   0.677   0.099  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.860  -0.539   0.627  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.560  -1.346   0.607  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.523   2.844  -0.514  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.177   2.748   0.048  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.962   3.405  -0.077  1.00  0.00           C  
HETATM   15  C   UNL     1       6.335  -0.720   0.245  1.00  0.00           C  
HETATM   16  C   UNL     1       8.256  -2.162   0.301  1.00  0.00           C  
HETATM   17  C   UNL     1       8.543   0.226   0.273  1.00  0.00           C  
HETATM   18  O   UNL     1       5.048   2.577   1.236  1.00  0.00           O  
HETATM   19  C   UNL     1       4.813   2.010   0.185  1.00  0.00           C  
HETATM   20  C   UNL     1       5.710   3.946  -0.992  1.00  0.00           C  
HETATM   21  C   UNL     1       4.211   0.672   0.192  1.00  0.00           C  
HETATM   22  C   UNL     1       2.772   0.340   0.174  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.933  -1.572   0.128  1.00  0.00           N  
HETATM   24  S   UNL     1      -1.529  -2.186  -1.290  1.00  0.00           S  
HETATM   25  O   UNL     1      -2.446  -3.190  -0.879  1.00  0.00           O  
HETATM   26  O   UNL     1      -0.370  -2.516  -2.043  1.00  0.00           O  
HETATM   27  C   UNL     1       1.467  -1.690   0.178  1.00  0.00           C  
HETATM   28  C   UNL     1       2.707  -1.063   0.189  1.00  0.00           C  
HETATM   29  O   UNL     1       3.969  -1.540   0.218  1.00  0.00           O  
HETATM   30  C   UNL     1       4.871  -0.545   0.218  1.00  0.00           C  
HETATM   31  C   UNL     1       7.175   0.396   0.248  1.00  0.00           C  
HETATM   32  C   UNL     1       9.085  -1.050   0.297  1.00  0.00           C  
HETATM   33  F   UNL     1      10.426  -1.211   0.322  1.00  0.00           F  
HETATM   34  C   UNL     1       6.887  -2.004   0.275  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.799   2.653  -0.052  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.175   1.345   0.181  1.00  0.00           C  
HETATM   37  O   UNL     1      -4.347   3.429   0.047  1.00  0.00           O  
HETATM   38  N   UNL     1      -5.642   1.450  -0.066  1.00  0.00           N  
HETATM   39  C   UNL     1      -8.103   0.936  -0.081  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.985  -0.098   0.182  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.219  -1.636   0.795  1.00  0.00           C  
HETATM   42  F   UNL     1      -6.808  -2.855   1.208  1.00  0.00           F  
HETATM   43  C   UNL     1      -6.308  -0.602   0.536  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.505   0.706   0.264  1.00  0.00           C  
HETATM   45  H   UNL     1       4.921   2.158  -1.823  1.00  0.00           H  
HETATM   46  H   UNL     1       1.666   2.180   0.136  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.151  -0.408  -1.354  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.697  -0.006  -2.299  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.905  -1.133  -2.961  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.361  -0.829   1.474  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.316  -2.602   1.323  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.032  -1.752   2.216  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.197  -1.337   0.928  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.294  -2.115   0.796  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.398   3.406  -0.189  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.458   2.871  -1.602  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.923   4.478  -0.192  1.00  0.00           H  
HETATM   58  H   UNL     1       8.684  -3.153   0.324  1.00  0.00           H  
HETATM   59  H   UNL     1       9.194   1.087   0.275  1.00  0.00           H  
HETATM   60  H   UNL     1       5.875   4.265  -2.021  1.00  0.00           H  
HETATM   61  H   UNL     1       5.040   4.649  -0.496  1.00  0.00           H  
HETATM   62  H   UNL     1       6.663   3.918  -0.463  1.00  0.00           H  
HETATM   63  H   UNL     1       1.408  -2.768   0.190  1.00  0.00           H  
HETATM   64  H   UNL     1       6.754   1.390   0.229  1.00  0.00           H  
HETATM   65  H   UNL     1       6.242  -2.871   0.279  1.00  0.00           H  
HETATM   66  H   UNL     1       0.162   3.138  -0.148  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.453   1.902  -0.412  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.043   0.075   0.051  1.00  0.00           H  
CONECT    1   36   36    8                                            
CONECT    2   19   20   45                                            
CONECT    3    4    4   22   46                                       
CONECT    4    5    8    3    3                                       
CONECT    5   23   27   27    4                                       
CONECT    6   24   47   48   49                                       
CONECT    7   23   50   51   52                                       
CONECT    8    1    4   35   35                                       
CONECT    9   43   43   39   38                                       
CONECT   10   43   44   44   53                                       
CONECT   11   41   41   40   54                                       
CONECT   12   38   37   55   56                                       
CONECT   13   36   37   14   14                                       
CONECT   14   13   13   35   57                                       
CONECT   15   31   30   34   34                                       
CONECT   16   32   32   34   58                                       
CONECT   17   31   31   32   59                                       
CONECT   18   19   19                                                 
CONECT   19   21   18   18    2                                       
CONECT   20    2   60   61   62                                       
CONECT   21   30   30   22   19                                       
CONECT   22   28   28    3   21                                       
CONECT   23   24    7    5                                            
CONECT   24    6   26   26   25                                       
CONECT   24   25   23                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27    5    5   28   63                                       
CONECT   28   27   29   22   22                                       
CONECT   29   28   30                                                 
CONECT   30   29   15   21   21                                       
CONECT   31   17   17   15   64                                       
CONECT   32   17   33   16   16                                       
CONECT   33   32                                                      
CONECT   34   15   15   16   65                                       
CONECT   35    8    8   14   66                                       
CONECT   36   44    1    1   13                                       
CONECT   37   12   13                                                 
CONECT   38    9   44   12                                            
CONECT   39   40   40    9   67                                       
CONECT   40   11   39   39   68                                       
CONECT   41   42   11   11   43                                       
CONECT   42   41                                                      
CONECT   43   41   10    9    9                                       
CONECT   44   10   10   38   36                                       
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   27                                                      
CONECT   64   31                                                      
CONECT   65   34                                                      
CONECT   66   35                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
