COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.511  -4.264   1.382  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.384  -4.971   2.164  1.00  0.00           C  
HETATM    3  C   UNL     1       0.067  -5.679   3.262  1.00  0.00           C  
HETATM    4  C   UNL     1       1.412  -5.681   3.579  1.00  0.00           C  
HETATM    5  C   UNL     1       2.307  -4.975   2.797  1.00  0.00           C  
HETATM    6  C   UNL     1       1.857  -4.270   1.696  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.105   3.508   2.064  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.657   4.688   2.626  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.233   5.162   3.790  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.259   4.456   4.390  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.708   3.276   3.827  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.134   2.804   2.661  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.477   2.991   0.795  1.00  0.00           C  
HETATM   14  O   UNL     1       0.623   2.138   1.121  1.00  0.00           O  
HETATM   15  C   UNL     1       0.019  -3.493   0.185  1.00  0.00           C  
HETATM   16  O   UNL     1      -0.318  -2.162   0.582  1.00  0.00           O  
HETATM   17  C   UNL     1       1.196   1.712  -0.116  1.00  0.00           C  
HETATM   18  C   UNL     1       0.926   0.219  -0.315  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.577  -0.010  -0.488  1.00  0.00           C  
HETATM   20  O   UNL     1      -1.020   0.625  -1.689  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.858  -1.511  -0.571  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.346  -1.741  -0.625  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.904  -2.319   0.283  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.057  -1.305  -1.684  1.00  0.00           N  
HETATM   25  C   UNL     1       2.683   1.955  -0.091  1.00  0.00           C  
HETATM   26  O   UNL     1       3.214   2.360   0.921  1.00  0.00           O  
HETATM   27  N   UNL     1       3.422   1.722  -1.194  1.00  0.00           N  
HETATM   28  C   UNL     1       4.868   1.958  -1.170  1.00  0.00           C  
HETATM   29  C   UNL     1       5.594   0.722  -0.684  1.00  0.00           C  
HETATM   30  C   UNL     1       6.701   0.489  -1.482  1.00  0.00           C  
HETATM   31  C   UNL     1       5.310  -0.133   0.366  1.00  0.00           C  
HETATM   32  C   UNL     1       6.128  -1.215   0.623  1.00  0.00           C  
HETATM   33  C   UNL     1       7.235  -1.448  -0.172  1.00  0.00           C  
HETATM   34  C   UNL     1       5.394   2.203  -2.600  1.00  0.00           C  
HETATM   35  O   UNL     1       4.562   1.557  -3.565  1.00  0.00           O  
HETATM   36  C   UNL     1       7.520  -0.597  -1.222  1.00  0.00           C  
HETATM   37  C   UNL     1       6.794   1.554  -2.553  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.504  -1.528  -1.737  1.00  0.00           C  
HETATM   39  C   UNL     1      -5.236  -0.395  -1.052  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.322  -0.010  -1.819  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.974   0.252   0.143  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.793   1.277   0.574  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.879   1.661  -0.191  1.00  0.00           C  
HETATM   44  C   UNL     1      -4.996  -1.504  -3.200  1.00  0.00           C  
HETATM   45  O   UNL     1      -4.137  -0.700  -4.012  1.00  0.00           O  
HETATM   46  C   UNL     1      -7.142   1.018  -1.385  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.393  -0.861  -3.069  1.00  0.00           C  
HETATM   48  H   UNL     1      -1.435  -4.970   1.917  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.632  -6.231   3.873  1.00  0.00           H  
HETATM   50  H   UNL     1       1.764  -6.233   4.437  1.00  0.00           H  
HETATM   51  H   UNL     1       3.358  -4.976   3.044  1.00  0.00           H  
HETATM   52  H   UNL     1       2.556  -3.719   1.085  1.00  0.00           H  
HETATM   53  H   UNL     1       0.144   5.239   2.157  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.882   6.084   4.230  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.709   4.826   5.300  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.509   2.724   4.297  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.485   1.883   2.221  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.121   3.830   0.198  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.217   2.428   0.226  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.863  -3.983  -0.227  1.00  0.00           H  
HETATM   61  H   UNL     1       0.803  -3.459  -0.572  1.00  0.00           H  
HETATM   62  H   UNL     1       0.749   2.274  -0.936  1.00  0.00           H  
HETATM   63  H   UNL     1       1.280  -0.333   0.555  1.00  0.00           H  
HETATM   64  H   UNL     1       1.451  -0.130  -1.205  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.108   0.413   0.365  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.526   0.223  -2.416  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.394  -1.919  -1.469  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.611  -0.843  -2.411  1.00  0.00           H  
HETATM   69  H   UNL     1       2.997   1.398  -2.003  1.00  0.00           H  
HETATM   70  H   UNL     1       5.101   2.810  -0.530  1.00  0.00           H  
HETATM   71  H   UNL     1       4.446   0.048   0.987  1.00  0.00           H  
HETATM   72  H   UNL     1       5.903  -1.880   1.444  1.00  0.00           H  
HETATM   73  H   UNL     1       7.876  -2.294   0.027  1.00  0.00           H  
HETATM   74  H   UNL     1       5.469   3.271  -2.808  1.00  0.00           H  
HETATM   75  H   UNL     1       4.942   1.747  -4.434  1.00  0.00           H  
HETATM   76  H   UNL     1       8.385  -0.779  -1.843  1.00  0.00           H  
HETATM   77  H   UNL     1       7.033   1.102  -3.516  1.00  0.00           H  
HETATM   78  H   UNL     1       7.546   2.296  -2.285  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.756  -2.480  -1.269  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.126  -0.047   0.741  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.585   1.779   1.507  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.520   2.462   0.144  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.071  -2.515  -3.601  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.496  -0.726  -4.909  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.990   1.318  -1.982  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.606  -0.239  -3.938  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.155  -1.632  -2.958  1.00  0.00           H  
CONECT    1    2    2    6   15                                       
CONECT    2    1    1    3   48                                       
CONECT    3    2    4    4   49                                       
CONECT    4    3    3    5   50                                       
CONECT    5    4    6    6   51                                       
CONECT    6    1    5    5   52                                       
CONECT    7    8    8   12   13                                       
CONECT    8    7    7    9   53                                       
CONECT    9    8   10   10   54                                       
CONECT   10    9    9   11   55                                       
CONECT   11   10   12   12   56                                       
CONECT   12    7   11   11   57                                       
CONECT   13    7   14   58   59                                       
CONECT   14   13   17                                                 
CONECT   15    1   16   60   61                                       
CONECT   16   15   21                                                 
CONECT   17   14   18   25   62                                       
CONECT   18   17   19   63   64                                       
CONECT   19   18   20   21   65                                       
CONECT   20   19   66                                                 
CONECT   21   16   19   22   67                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   38   68                                            
CONECT   25   17   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   69                                            
CONECT   28   27   29   34   70                                       
CONECT   29   28   30   30   31                                       
CONECT   30   29   29   36   37                                       
CONECT   31   29   32   32   71                                       
CONECT   32   31   31   33   72                                       
CONECT   33   32   36   36   73                                       
CONECT   34   28   35   37   74                                       
CONECT   35   34   75                                                 
CONECT   36   30   33   33   76                                       
CONECT   37   30   34   77   78                                       
CONECT   38   24   39   44   79                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39   46   47                                       
CONECT   41   39   42   42   80                                       
CONECT   42   41   41   43   81                                       
CONECT   43   42   46   46   82                                       
CONECT   44   38   45   47   83                                       
CONECT   45   44   84                                                 
CONECT   46   40   43   43   85                                       
CONECT   47   40   44   86   87                                       
CONECT   48    2                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   17                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   24                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   31                                                      
CONECT   72   32                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
CONECT   78   37                                                      
CONECT   79   38                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
