COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.119   0.103  -0.004  1.00  0.00           C  
HETATM    2  C   UNL     1       4.091   1.119  -0.160  1.00  0.00           C  
HETATM    3  C   UNL     1       3.697   2.445  -0.270  1.00  0.00           C  
HETATM    4  C   UNL     1       2.339   2.770  -0.228  1.00  0.00           C  
HETATM    5  C   UNL     1       1.373   1.754  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       1.773   0.426   0.038  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.124   2.344   0.757  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.342   1.709   0.887  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.279   0.471  -0.493  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.746  -1.509  -0.194  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.084  -2.213   0.040  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.854   0.639  -0.063  1.00  0.00           C  
HETATM   13  C   UNL     1       5.481   0.779  -0.202  1.00  0.00           C  
HETATM   14  C   UNL     1       4.213  -3.182   1.456  1.00  0.00           C  
HETATM   15  C   UNL     1       3.678  -2.096  -1.041  1.00  0.00           C  
HETATM   16  C   UNL     1       3.688  -1.021   2.600  1.00  0.00           C  
HETATM   17  N   UNL     1       0.148   2.373  -0.066  1.00  0.00           N  
HETATM   18  N   UNL     1       0.332   3.752  -0.214  1.00  0.00           N  
HETATM   19  C   UNL     1       1.601   4.028  -0.312  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.089   1.727   0.066  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.531   0.449   0.332  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.494  -0.170  -0.354  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.765  -0.195   0.464  1.00  0.00           N  
HETATM   24  N   UNL     1      -7.173  -1.379  -0.487  1.00  0.00           N  
HETATM   25  C   UNL     1      -7.192  -0.065   0.172  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.470  -2.056  -0.348  1.00  0.00           C  
HETATM   27  N   UNL     1       6.584   0.509  -0.236  1.00  0.00           N  
HETATM   28  C   UNL     1       3.542  -1.312   0.107  1.00  0.00           C  
HETATM   29  C   UNL     1       3.819  -1.863   1.358  1.00  0.00           C  
HETATM   30  C   UNL     1       4.339  -3.957   0.316  1.00  0.00           C  
HETATM   31  C   UNL     1       4.073  -3.416  -0.928  1.00  0.00           C  
HETATM   32  F   UNL     1       3.412  -1.570  -2.256  1.00  0.00           F  
HETATM   33  H   UNL     1       4.437   3.223  -0.389  1.00  0.00           H  
HETATM   34  H   UNL     1       1.034  -0.353   0.156  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.977   3.324   1.188  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.148   2.190   1.421  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.473  -0.011  -1.027  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.939  -2.112   0.221  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.587  -1.377  -1.265  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.083  -3.176  -0.471  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.231  -2.369   1.109  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.855   1.602   0.449  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.708   0.796  -1.132  1.00  0.00           H  
HETATM   44  H   UNL     1       4.426  -3.610   2.424  1.00  0.00           H  
HETATM   45  H   UNL     1       4.639  -0.531   2.809  1.00  0.00           H  
HETATM   46  H   UNL     1       2.916  -0.266   2.447  1.00  0.00           H  
HETATM   47  H   UNL     1       3.413  -1.656   3.443  1.00  0.00           H  
HETATM   48  H   UNL     1       2.031   5.011  -0.433  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.642  -1.147  -0.789  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.351  -0.197   1.242  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.999   0.539  -0.244  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.663  -2.258   0.706  1.00  0.00           H  
HETATM   53  H   UNL     1      -9.258  -1.416  -0.746  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.450  -2.995  -0.901  1.00  0.00           H  
HETATM   55  H   UNL     1       4.648  -4.988   0.399  1.00  0.00           H  
HETATM   56  H   UNL     1       4.178  -4.024  -1.814  1.00  0.00           H  
CONECT    1    2   28    6    6                                       
CONECT    2   13    3    3    1                                       
CONECT    3    2    2    4   33                                       
CONECT    4    3    5    5   19                                       
CONECT    5    4    4    6   17                                       
CONECT    6    1    1    5   34                                       
CONECT    7   20   20    8   35                                       
CONECT    8    7   21   21   36                                       
CONECT    9   20   22   22   37                                       
CONECT   10   23   11   38   39                                       
CONECT   11   10   24   40   41                                       
CONECT   12   23   25   42   43                                       
CONECT   13   27   27   27    2                                       
CONECT   14   30   30   29   44                                       
CONECT   15   32   31   31   28                                       
CONECT   16   29   45   46   47                                       
CONECT   17    5   18   20                                            
CONECT   18   19   19   17                                            
CONECT   19    4   18   18   48                                       
CONECT   20   17    7    7    9                                       
CONECT   21    8    8   22   23                                       
CONECT   22    9    9   21   49                                       
CONECT   23   21   10   12                                            
CONECT   24   11   25   26                                            
CONECT   25   12   24   50   51                                       
CONECT   26   24   52   53   54                                       
CONECT   27   13   13   13                                            
CONECT   28   15    1   29   29                                       
CONECT   29   28   28   14   16                                       
CONECT   30   31   14   14   55                                       
CONECT   31   15   15   30   56                                       
CONECT   32   15                                                      
CONECT   33    3                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   16                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   25                                                      
CONECT   51   25                                                      
CONECT   52   26                                                      
CONECT   53   26                                                      
CONECT   54   26                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
