COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.613  -0.641   0.328  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.086  -0.591   0.012  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.437  -1.970   0.553  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.502  -3.553   0.799  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.416  -1.062   0.375  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.958  -0.911   0.332  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.020   0.454   0.063  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.340   1.624  -0.061  1.00  0.00           C  
HETATM    9  C   UNL     1       0.051   2.339  -0.352  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.843  -0.017  -0.154  1.00  0.00           C  
HETATM   11  C   UNL     1       0.433  -0.732  -0.263  1.00  0.00           C  
HETATM   12  C   UNL     1       1.675  -2.768  -0.297  1.00  0.00           C  
HETATM   13  C   UNL     1       2.950  -2.186  -0.244  1.00  0.00           C  
HETATM   14  C   UNL     1       1.836  -4.117  -0.340  1.00  0.00           C  
HETATM   15  C   UNL     1       3.753  -5.741  -0.339  1.00  0.00           C  
HETATM   16  C   UNL     1       3.866  -3.217  -0.247  1.00  0.00           C  
HETATM   17  C   UNL     1      11.211   1.295   0.148  1.00  0.00           C  
HETATM   18  C   UNL     1      11.578   2.766   0.359  1.00  0.00           C  
HETATM   19  C   UNL     1      13.098   2.927   0.295  1.00  0.00           C  
HETATM   20  C   UNL     1      14.911   4.476   0.556  1.00  0.00           C  
HETATM   21  C   UNL     1      12.926   5.139  -0.617  1.00  0.00           C  
HETATM   22  C   UNL     1       5.325  -3.078  -0.198  1.00  0.00           C  
HETATM   23  C   UNL     1      -9.877   1.356   0.003  1.00  0.00           C  
HETATM   24  C   UNL     1     -11.170   2.056  -0.102  1.00  0.00           C  
HETATM   25  C   UNL     1     -13.294   2.435  -0.143  1.00  0.00           C  
HETATM   26  C   UNL     1     -12.679   3.626  -0.347  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.280   4.390  -0.494  1.00  0.00           C  
HETATM   28  C   UNL     1       7.337  -1.706  -0.099  1.00  0.00           C  
HETATM   29  C   UNL     1       7.703  -0.236   0.113  1.00  0.00           C  
HETATM   30  C   UNL     1       9.200  -0.077   0.049  1.00  0.00           C  
HETATM   31  C   UNL     1      -7.344  -0.056   0.208  1.00  0.00           C  
HETATM   32  O   UNL     1      -4.242  -1.893   0.398  1.00  0.00           O  
HETATM   33  O   UNL     1       1.477  -0.108  -0.310  1.00  0.00           O  
HETATM   34  O   UNL     1       6.034  -4.062  -0.301  1.00  0.00           O  
HETATM   35  O   UNL     1      -8.838   1.977  -0.115  1.00  0.00           O  
HETATM   36  O   UNL     1       9.905  -1.044  -0.146  1.00  0.00           O  
HETATM   37  N   UNL     1      -7.105  -2.235   0.582  1.00  0.00           N  
HETATM   38  N   UNL     1      -4.411   0.316   0.220  1.00  0.00           N  
HETATM   39  N   UNL     1      -1.016   1.348  -0.194  1.00  0.00           N  
HETATM   40  N   UNL     1       0.449  -2.078  -0.310  1.00  0.00           N  
HETATM   41  N   UNL     1       3.165  -4.399  -0.310  1.00  0.00           N  
HETATM   42  N   UNL     1       9.756   1.141   0.209  1.00  0.00           N  
HETATM   43  N   UNL     1      13.449   4.339   0.498  1.00  0.00           N1+
HETATM   44  N   UNL     1      -9.846   0.027   0.229  1.00  0.00           N  
HETATM   45  N   UNL     1     -11.340   3.395  -0.319  1.00  0.00           N  
HETATM   46  N   UNL     1     -12.358   1.500   0.006  1.00  0.00           N  
HETATM   47  N   UNL     1       5.881  -1.861  -0.037  1.00  0.00           N  
HETATM   48  H   UNL     1      -2.301  -1.647   0.083  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.226  -2.695   0.686  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.438  -4.084  -0.150  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.502  -3.430   1.215  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.117  -4.124   1.495  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.779   2.610  -0.056  1.00  0.00           H  
HETATM   54  H   UNL     1       0.371   2.688   0.629  1.00  0.00           H  
HETATM   55  H   UNL     1       0.896   1.884  -0.869  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.320   3.182  -0.935  1.00  0.00           H  
HETATM   57  H   UNL     1       3.172  -1.130  -0.202  1.00  0.00           H  
HETATM   58  H   UNL     1       1.039  -4.844  -0.389  1.00  0.00           H  
HETATM   59  H   UNL     1       4.016  -5.999  -1.365  1.00  0.00           H  
HETATM   60  H   UNL     1       4.649  -5.758   0.281  1.00  0.00           H  
HETATM   61  H   UNL     1       3.032  -6.462   0.044  1.00  0.00           H  
HETATM   62  H   UNL     1      11.674   0.690   0.927  1.00  0.00           H  
HETATM   63  H   UNL     1      11.571   0.968  -0.828  1.00  0.00           H  
HETATM   64  H   UNL     1      11.115   3.371  -0.420  1.00  0.00           H  
HETATM   65  H   UNL     1      11.218   3.093   1.335  1.00  0.00           H  
HETATM   66  H   UNL     1      13.561   2.321   1.074  1.00  0.00           H  
HETATM   67  H   UNL     1      13.457   2.600  -0.681  1.00  0.00           H  
HETATM   68  H   UNL     1      15.346   4.124  -0.380  1.00  0.00           H  
HETATM   69  H   UNL     1      15.172   5.523   0.706  1.00  0.00           H  
HETATM   70  H   UNL     1      15.299   3.882   1.383  1.00  0.00           H  
HETATM   71  H   UNL     1      13.361   4.787  -1.553  1.00  0.00           H  
HETATM   72  H   UNL     1      11.842   5.037  -0.660  1.00  0.00           H  
HETATM   73  H   UNL     1      13.187   6.186  -0.466  1.00  0.00           H  
HETATM   74  H   UNL     1     -14.361   2.273  -0.107  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.163   4.580  -0.502  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.008   4.807   0.476  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.407   3.916  -0.943  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.635   5.189  -1.145  1.00  0.00           H  
HETATM   79  H   UNL     1       7.800  -2.311   0.680  1.00  0.00           H  
HETATM   80  H   UNL     1       7.696  -2.033  -1.075  1.00  0.00           H  
HETATM   81  H   UNL     1       7.240   0.370  -0.667  1.00  0.00           H  
HETATM   82  H   UNL     1       7.344   0.092   1.088  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.133   0.988   0.026  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.976   1.103   0.248  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.385  -2.572  -0.352  1.00  0.00           H  
HETATM   86  H   UNL     1       9.192   1.914   0.365  1.00  0.00           H  
HETATM   87  H   UNL     1      13.046   4.664   1.364  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.675  -0.468   0.323  1.00  0.00           H  
HETATM   89  H   UNL     1       5.317  -1.087   0.119  1.00  0.00           H  
CONECT    1    3    3   31   44                                       
CONECT    2    7   10   10   48                                       
CONECT    3    1    1   37   49                                       
CONECT    4   37   50   51   52                                       
CONECT    5    6   31   31   37                                       
CONECT    6    5   32   32   38                                       
CONECT    7    2    8    8   38                                       
CONECT    8    7    7   39   53                                       
CONECT    9   39   54   55   56                                       
CONECT   10    2    2   11   39                                       
CONECT   11   10   33   33   40                                       
CONECT   12   13   14   14   40                                       
CONECT   13   12   16   16   57                                       
CONECT   14   12   12   41   58                                       
CONECT   15   41   59   60   61                                       
CONECT   16   13   13   22   41                                       
CONECT   17   18   42   62   63                                       
CONECT   18   17   19   64   65                                       
CONECT   19   18   43   66   67                                       
CONECT   20   43   68   69   70                                       
CONECT   21   43   71   72   73                                       
CONECT   22   16   34   34   47                                       
CONECT   23   24   35   35   44                                       
CONECT   24   23   45   46   46                                       
CONECT   25   26   26   46   74                                       
CONECT   26   25   25   45   75                                       
CONECT   27   45   76   77   78                                       
CONECT   28   29   47   79   80                                       
CONECT   29   28   30   81   82                                       
CONECT   30   29   36   36   42                                       
CONECT   31    1    5    5   83                                       
CONECT   32    6    6                                                 
CONECT   33   11   11                                                 
CONECT   34   22   22                                                 
CONECT   35   23   23                                                 
CONECT   36   30   30                                                 
CONECT   37    3    4    5                                            
CONECT   38    6    7   84                                            
CONECT   39    8    9   10                                            
CONECT   40   11   12   85                                            
CONECT   41   14   15   16                                            
CONECT   42   17   30   86                                            
CONECT   43   19   20   21   87                                       
CONECT   44    1   23   88                                            
CONECT   45   24   26   27                                            
CONECT   46   24   24   25                                            
CONECT   47   22   28   89                                            
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56    9                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
CONECT   89   47                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
