COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.381   4.632  -0.220  1.00  0.00           C  
HETATM    2  C   UNL     1      12.567   3.350  -0.033  1.00  0.00           C  
HETATM    3  C   UNL     1      11.081   3.656  -0.228  1.00  0.00           C  
HETATM    4  C   UNL     1      10.267   2.375  -0.041  1.00  0.00           C  
HETATM    5  C   UNL     1       8.781   2.681  -0.236  1.00  0.00           C  
HETATM    6  C   UNL     1       7.967   1.399  -0.048  1.00  0.00           C  
HETATM    7  C   UNL     1       6.480   1.706  -0.243  1.00  0.00           C  
HETATM    8  C   UNL     1       5.666   0.424  -0.056  1.00  0.00           C  
HETATM    9  N   UNL     1       4.243   0.717  -0.243  1.00  0.00           N  
HETATM   10  C   UNL     1       3.331  -0.268  -0.125  1.00  0.00           C  
HETATM   11  O   UNL     1       3.688  -1.397   0.136  1.00  0.00           O  
HETATM   12  C   UNL     1       1.867   0.034  -0.317  1.00  0.00           C  
HETATM   13  N   UNL     1       1.147  -1.207  -0.613  1.00  0.00           N  
HETATM   14  C   UNL     1       1.157  -2.220   0.275  1.00  0.00           C  
HETATM   15  O   UNL     1       1.761  -2.104   1.321  1.00  0.00           O  
HETATM   16  C   UNL     1       0.416  -3.497  -0.030  1.00  0.00           C  
HETATM   17  C   UNL     1       0.980  -4.121  -1.308  1.00  0.00           C  
HETATM   18  C   UNL     1       0.229  -5.417  -1.617  1.00  0.00           C  
HETATM   19  C   UNL     1       0.399  -6.396  -0.453  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.352  -7.692  -0.763  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.091  -8.674   0.297  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.165  -5.772   0.825  1.00  0.00           C  
HETATM   23  C   UNL     1       0.587  -4.475   1.134  1.00  0.00           C  
HETATM   24  C   UNL     1       1.303   0.658   0.961  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.127   1.072   0.729  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.410   2.340   0.254  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.720   2.722   0.040  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.154   0.183   0.986  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.466   0.560   0.773  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.753   1.833   0.302  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.043   2.206   0.092  1.00  0.00           O  
HETATM   32  C   UNL     1      -5.054   1.239   0.383  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.410   1.827   0.092  1.00  0.00           C  
HETATM   34  N   UNL     1      -7.479   1.096   0.294  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.704   1.574   0.051  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.847   0.786   0.270  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.081   1.299   0.014  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.233   2.599  -0.465  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.150   3.392  -0.689  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.861   2.895  -0.436  1.00  0.00           C  
HETATM   41  C   UNL     1      -7.715   3.683  -0.655  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.495   3.135  -0.380  1.00  0.00           C  
HETATM   43  H   UNL     1      13.064   5.374   0.512  1.00  0.00           H  
HETATM   44  H   UNL     1      14.440   4.413  -0.081  1.00  0.00           H  
HETATM   45  H   UNL     1      13.219   5.021  -1.225  1.00  0.00           H  
HETATM   46  H   UNL     1      12.884   2.608  -0.765  1.00  0.00           H  
HETATM   47  H   UNL     1      12.729   2.960   0.972  1.00  0.00           H  
HETATM   48  H   UNL     1      10.764   4.399   0.505  1.00  0.00           H  
HETATM   49  H   UNL     1      10.919   4.046  -1.233  1.00  0.00           H  
HETATM   50  H   UNL     1      10.584   1.632  -0.773  1.00  0.00           H  
HETATM   51  H   UNL     1      10.429   1.985   0.965  1.00  0.00           H  
HETATM   52  H   UNL     1       8.463   3.423   0.497  1.00  0.00           H  
HETATM   53  H   UNL     1       8.619   3.070  -1.241  1.00  0.00           H  
HETATM   54  H   UNL     1       8.284   0.657  -0.781  1.00  0.00           H  
HETATM   55  H   UNL     1       8.128   1.010   0.957  1.00  0.00           H  
HETATM   56  H   UNL     1       6.163   2.448   0.489  1.00  0.00           H  
HETATM   57  H   UNL     1       6.319   2.095  -1.249  1.00  0.00           H  
HETATM   58  H   UNL     1       5.984  -0.318  -0.789  1.00  0.00           H  
HETATM   59  H   UNL     1       5.828   0.034   0.949  1.00  0.00           H  
HETATM   60  H   UNL     1       3.958   1.620  -0.452  1.00  0.00           H  
HETATM   61  H   UNL     1       1.746   0.732  -1.146  1.00  0.00           H  
HETATM   62  H   UNL     1       0.664  -1.299  -1.449  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.642  -3.278  -0.169  1.00  0.00           H  
HETATM   64  H   UNL     1       0.859  -3.424  -2.136  1.00  0.00           H  
HETATM   65  H   UNL     1       2.039  -4.339  -1.168  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.830  -5.199  -1.756  1.00  0.00           H  
HETATM   67  H   UNL     1       0.631  -5.861  -2.527  1.00  0.00           H  
HETATM   68  H   UNL     1       1.458  -6.614  -0.314  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.422  -7.488  -0.814  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.012  -8.090  -1.719  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.577  -9.540   0.116  1.00  0.00           H  
HETATM   72  H   UNL     1       0.899  -8.832   0.408  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.224  -5.553   0.686  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.043  -6.469   1.654  1.00  0.00           H  
HETATM   75  H   UNL     1       1.646  -4.694   1.273  1.00  0.00           H  
HETATM   76  H   UNL     1       0.185  -4.031   2.045  1.00  0.00           H  
HETATM   77  H   UNL     1       1.343  -0.071   1.770  1.00  0.00           H  
HETATM   78  H   UNL     1       1.895   1.533   1.231  1.00  0.00           H  
HETATM   79  H   UNL     1       0.394   3.032   0.051  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.941   3.712  -0.331  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.930  -0.808   1.352  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.267  -0.135   0.974  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.900   0.355  -0.236  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.997   0.960   1.435  1.00  0.00           H  
HETATM   85  H   UNL     1      -9.746  -0.224   0.641  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.956   0.690   0.184  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.224   2.982  -0.660  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.281   4.398  -1.061  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.800   4.695  -1.022  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.596   3.713  -0.537  1.00  0.00           H  
CONECT    1    2   43   44   45                                       
CONECT    2    3    1   46   47                                       
CONECT    3    4    2   48   49                                       
CONECT    4    3    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6    7    5   54   55                                       
CONECT    7    8    6   56   57                                       
CONECT    8    9    7   58   59                                       
CONECT    9   10    8   60                                            
CONECT   10   12   11   11    9                                       
CONECT   11   10   10                                                 
CONECT   12   24   13   10   61                                       
CONECT   13   14   12   62                                            
CONECT   14   16   13   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   17   14   23   63                                       
CONECT   17   18   16   64   65                                       
CONECT   18   17   19   66   67                                       
CONECT   19   18   20   22   68                                       
CONECT   20   21   19   69   70                                       
CONECT   21   20   71   72                                            
CONECT   22   19   23   73   74                                       
CONECT   23   16   22   75   76                                       
CONECT   24   25   12   77   78                                       
CONECT   25   24   26   26   28                                       
CONECT   26   25   25   27   79                                       
CONECT   27   26   30   30   80                                       
CONECT   28   25   29   29   81                                       
CONECT   29   28   28   30   82                                       
CONECT   30   27   27   29   31                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   83   84                                       
CONECT   33   42   32   34   34                                       
CONECT   34   33   33   35                                            
CONECT   35   40   40   34   36                                       
CONECT   36   35   37   37   85                                       
CONECT   37   38   36   36   86                                       
CONECT   38   39   39   37   87                                       
CONECT   39   40   38   38   88                                       
CONECT   40   41   39   35   35                                       
CONECT   41   42   42   40   89                                       
CONECT   42   41   41   33   90                                       
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   20                                                      
CONECT   71   21                                                      
CONECT   72   21                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   26                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   32                                                      
CONECT   84   32                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
MASTER        0    0    0    0    0    0    0    0   90    0   90    0
END
