COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.145  -1.019   2.172  1.00  0.00           O  
HETATM    2  C   UNL     1       2.781  -0.720   1.177  1.00  0.00           C  
HETATM    3  N   UNL     1       2.659  -1.455   0.054  1.00  0.00           N  
HETATM    4  C   UNL     1       1.691  -2.464  -0.022  1.00  0.00           C  
HETATM    5  C   UNL     1       1.939  -3.600  -0.765  1.00  0.00           C  
HETATM    6  C   UNL     1       0.965  -4.603  -0.835  1.00  0.00           C  
HETATM    7  C   UNL     1       0.891  -5.897  -1.506  1.00  0.00           C  
HETATM    8  N   UNL     1      -0.266  -6.425  -1.226  1.00  0.00           N  
HETATM    9  N   UNL     1      -0.998  -5.568  -0.398  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.253  -4.442  -0.148  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.478  -3.286   0.595  1.00  0.00           C  
HETATM   12  C   UNL     1       0.481  -2.317   0.660  1.00  0.00           C  
HETATM   13  C   UNL     1       3.645   0.403   1.199  1.00  0.00           C  
HETATM   14  C   UNL     1       4.977   0.255   1.352  1.00  0.00           C  
HETATM   15  C   UNL     1       5.557  -1.128   1.501  1.00  0.00           C  
HETATM   16  N   UNL     1       5.809   1.339   1.372  1.00  0.00           N  
HETATM   17  C   UNL     1       5.385   2.603   1.247  1.00  0.00           C  
HETATM   18  O   UNL     1       6.201   3.503   1.278  1.00  0.00           O  
HETATM   19  N   UNL     1       4.082   2.909   1.088  1.00  0.00           N  
HETATM   20  C   UNL     1       3.104   1.810   1.045  1.00  0.00           C  
HETATM   21  C   UNL     1       2.366   1.894  -0.266  1.00  0.00           C  
HETATM   22  C   UNL     1       0.993   1.773  -0.292  1.00  0.00           C  
HETATM   23  C   UNL     1       3.070   2.099  -1.441  1.00  0.00           C  
HETATM   24  C   UNL     1       2.403   2.178  -2.649  1.00  0.00           C  
HETATM   25  C   UNL     1       1.026   2.053  -2.691  1.00  0.00           C  
HETATM   26  F   UNL     1       0.375   2.131  -3.872  1.00  0.00           F  
HETATM   27  C   UNL     1       0.310   1.852  -1.507  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.160   1.717  -1.543  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.742   1.687  -2.609  1.00  0.00           O  
HETATM   30  N   UNL     1      -1.856   1.629  -0.392  1.00  0.00           N  
HETATM   31  C   UNL     1      -3.301   1.387  -0.427  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.863   1.453   0.994  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.325   1.085   0.974  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.276   2.046   0.690  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.852   3.463   0.400  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.713  -0.216   1.234  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.675  -1.266   1.538  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.053  -0.554   1.216  1.00  0.00           C  
HETATM   39  C   UNL     1      -8.005   0.409   0.936  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.616   1.709   0.670  1.00  0.00           C  
HETATM   41  H   UNL     1       3.243  -1.286  -0.702  1.00  0.00           H  
HETATM   42  H   UNL     1       2.876  -3.714  -1.288  1.00  0.00           H  
HETATM   43  H   UNL     1       1.659  -6.338  -2.124  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.411  -3.157   1.123  1.00  0.00           H  
HETATM   45  H   UNL     1       0.301  -1.426   1.242  1.00  0.00           H  
HETATM   46  H   UNL     1       5.723  -1.561   0.515  1.00  0.00           H  
HETATM   47  H   UNL     1       6.505  -1.068   2.036  1.00  0.00           H  
HETATM   48  H   UNL     1       4.863  -1.755   2.060  1.00  0.00           H  
HETATM   49  H   UNL     1       6.760   1.184   1.485  1.00  0.00           H  
HETATM   50  H   UNL     1       3.797   3.832   0.999  1.00  0.00           H  
HETATM   51  H   UNL     1       2.380   1.972   1.844  1.00  0.00           H  
HETATM   52  H   UNL     1       0.447   1.618   0.627  1.00  0.00           H  
HETATM   53  H   UNL     1       4.145   2.198  -1.413  1.00  0.00           H  
HETATM   54  H   UNL     1       2.958   2.339  -3.562  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.401   1.725   0.459  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.782   2.147  -1.043  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.494   0.401  -0.849  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.322   0.755   1.632  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.749   2.465   1.384  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.679   3.579  -0.670  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.637   4.150   0.718  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.933   3.686   0.943  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.543  -1.344   2.617  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.004  -2.227   1.142  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.729  -0.986   1.075  1.00  0.00           H  
HETATM   66  H   UNL     1      -7.357  -1.570   1.419  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.052   0.145   0.922  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.359   2.460   0.448  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.889  -5.741  -0.055  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   13    3                                       
CONECT    3    2    4   41                                            
CONECT    4    5    5    3   12                                       
CONECT    5    6    4    4   42                                       
CONECT    6    7    5   10   10                                       
CONECT    7    8    8    6   43                                       
CONECT    8    7    7    9                                            
CONECT    9    8   10   69                                            
CONECT   10    6    6    9   11                                       
CONECT   11   10   12   12   44                                       
CONECT   12    4   11   11   45                                       
CONECT   13   20    2   14   14                                       
CONECT   14   13   13   16   15                                       
CONECT   15   14   46   47   48                                       
CONECT   16   17   14   49                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   20   17   50                                            
CONECT   20   21   19   13   51                                       
CONECT   21   23   20   22   22                                       
CONECT   22   21   21   27   52                                       
CONECT   23   24   24   21   53                                       
CONECT   24   23   23   25   54                                       
CONECT   25   24   26   27   27                                       
CONECT   26   25                                                      
CONECT   27   25   25   22   28                                       
CONECT   28   27   30   29   29                                       
CONECT   29   28   28                                                 
CONECT   30   28   31   55                                            
CONECT   31   30   32   56   57                                       
CONECT   32   33   31   58   59                                       
CONECT   33   34   32   36   36                                       
CONECT   34   35   40   40   33                                       
CONECT   35   34   60   61   62                                       
CONECT   36   33   33   38   37                                       
CONECT   37   36   63   64   65                                       
CONECT   38   39   39   36   66                                       
CONECT   39   40   38   38   67                                       
CONECT   40   34   34   39   68                                       
CONECT   41    3                                                      
CONECT   42    5                                                      
CONECT   43    7                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
CONECT   57   31                                                      
CONECT   58   32                                                      
CONECT   59   32                                                      
CONECT   60   35                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
CONECT   63   37                                                      
CONECT   64   37                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69    9                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
