COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.847   0.919   0.228  1.00  0.00           C  
HETATM    2  C   UNL     1       4.549  -0.250  -0.414  1.00  0.00           C  
HETATM    3  C   UNL     1       3.426  -0.295  -1.287  1.00  0.00           C  
HETATM    4  C   UNL     1       2.557   0.743  -1.370  1.00  0.00           C  
HETATM    5  C   UNL     1       1.741   2.875  -0.465  1.00  0.00           C  
HETATM    6  C   UNL     1       1.953   3.999   0.283  1.00  0.00           C  
HETATM    7  C   UNL     1       3.191   4.157   0.928  1.00  0.00           C  
HETATM    8  C   UNL     1       4.167   3.207   0.880  1.00  0.00           C  
HETATM    9  C   UNL     1       3.937   2.002   0.188  1.00  0.00           C  
HETATM   10  C   UNL     1       2.729   1.881  -0.554  1.00  0.00           C  
HETATM   11  C   UNL     1       0.349   2.993  -1.060  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.252   4.240  -0.365  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.796   5.210  -1.411  1.00  0.00           C  
HETATM   14  C   UNL     1       3.456   5.425   1.699  1.00  0.00           C  
HETATM   15  C   UNL     1       4.429  -2.526  -0.361  1.00  0.00           C  
HETATM   16  C   UNL     1       4.538  -3.845  -0.898  1.00  0.00           C  
HETATM   17  C   UNL     1       3.542  -4.760  -0.762  1.00  0.00           C  
HETATM   18  C   UNL     1       2.396  -4.567   0.113  1.00  0.00           C  
HETATM   19  C   UNL     1       1.295  -5.311  -0.027  1.00  0.00           C  
HETATM   20  C   UNL     1       0.134  -5.120   0.922  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.948  -4.281   0.250  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.046  -3.855   1.224  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.054  -2.959   0.516  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.096  -1.525   1.009  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.367  -0.828   0.484  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.572   0.479   1.244  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.268   1.706   0.393  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.040   2.408   0.918  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.376   3.233   0.128  1.00  0.00           C  
HETATM   30  C   UNL     1       5.778  -4.272  -1.656  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.427  -6.497   1.286  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.469  -3.221   2.480  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.893  -0.741   0.477  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.028   0.553   1.729  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.360  -0.604  -1.667  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.298  -0.379  -3.155  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.564   3.404  -0.704  1.00  0.00           C  
HETATM   38  N   UNL     1       5.247  -1.467  -0.358  1.00  0.00           N  
HETATM   39  O   UNL     1       5.997   1.013   0.948  1.00  0.00           O  
HETATM   40  O   UNL     1       5.356   3.440   1.496  1.00  0.00           O  
HETATM   41  O   UNL     1       0.872   4.831   0.306  1.00  0.00           O  
HETATM   42  O   UNL     1      -0.413   1.823  -0.767  1.00  0.00           O  
HETATM   43  O   UNL     1      -1.258   3.859   0.565  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.378   2.611   0.470  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.232  -0.605  -0.940  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.426  -0.785  -1.127  1.00  0.00           O  
HETATM   47  O   UNL     1      -4.355  -3.552   0.643  1.00  0.00           O  
HETATM   48  O   UNL     1      -0.351  -3.133  -0.356  1.00  0.00           O  
HETATM   49  O   UNL     1       3.386  -2.295   0.234  1.00  0.00           O  
HETATM   50  O   UNL     1       1.535   0.686  -2.264  1.00  0.00           O  
HETATM   51  H   UNL     1       3.241  -1.187  -1.868  1.00  0.00           H  
HETATM   52  H   UNL     1       0.410   3.146  -2.138  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.010   5.454  -2.126  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.633   4.748  -1.936  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.136   6.122  -0.920  1.00  0.00           H  
HETATM   56  H   UNL     1       3.134   5.296   2.732  1.00  0.00           H  
HETATM   57  H   UNL     1       4.523   5.648   1.676  1.00  0.00           H  
HETATM   58  H   UNL     1       2.903   6.248   1.245  1.00  0.00           H  
HETATM   59  H   UNL     1       3.639  -5.703  -1.293  1.00  0.00           H  
HETATM   60  H   UNL     1       2.415  -3.840   0.910  1.00  0.00           H  
HETATM   61  H   UNL     1       1.236  -6.054  -0.809  1.00  0.00           H  
HETATM   62  H   UNL     1       0.513  -4.634   1.817  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.410  -4.883  -0.547  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.591  -4.772   1.535  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.811  -2.951  -0.561  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.135  -1.469   2.095  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.225  -1.478   0.664  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.920   0.485   2.125  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.107   1.445  -0.649  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.707   2.243   1.933  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.735   3.385  -0.877  1.00  0.00           H  
HETATM   72  H   UNL     1       6.501  -4.697  -0.960  1.00  0.00           H  
HETATM   73  H   UNL     1       5.508  -5.020  -2.401  1.00  0.00           H  
HETATM   74  H   UNL     1       6.217  -3.406  -2.152  1.00  0.00           H  
HETATM   75  H   UNL     1       0.351  -7.091   1.765  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.266  -6.378   1.971  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.765  -7.002   0.381  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.891  -2.338   2.208  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.282  -2.932   3.146  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.823  -3.938   2.985  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.911  -0.742  -0.613  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.938   0.286   0.840  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.972  -1.209   0.825  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.234  -0.292   2.387  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.183   1.484   2.274  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.699   0.518   0.871  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.305  -0.412  -3.571  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.854   0.597  -3.357  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.688  -1.157  -3.615  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.671   4.004  -0.882  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.740   2.752  -1.559  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.422   4.062  -0.566  1.00  0.00           H  
HETATM   93  H   UNL     1       6.210  -1.529  -0.312  1.00  0.00           H  
HETATM   94  H   UNL     1       6.756   1.327   0.438  1.00  0.00           H  
HETATM   95  H   UNL     1       5.386   3.148   2.417  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.447   1.602   0.174  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.424  -4.436   0.257  1.00  0.00           H  
HETATM   98  H   UNL     1       0.308  -3.343  -1.031  1.00  0.00           H  
HETATM   99  H   UNL     1       0.756   0.213  -1.941  1.00  0.00           H  
CONECT    1    9    9    2   39                                       
CONECT    2    3    3    1   38                                       
CONECT    3    4    2    2   51                                       
CONECT    4   50   10   10    3                                       
CONECT    5   11    6    6   10                                       
CONECT    6   41    5    5    7                                       
CONECT    7    6   14    8    8                                       
CONECT    8    7    7    9   40                                       
CONECT    9   10    8    1    1                                       
CONECT   10    5    4    4    9                                       
CONECT   11   12   42    5   52                                       
CONECT   12   13   43   41   11                                       
CONECT   13   12   53   54   55                                       
CONECT   14    7   56   57   58                                       
CONECT   15   38   49   49   16                                       
CONECT   16   15   30   17   17                                       
CONECT   17   16   16   18   59                                       
CONECT   18   19   19   17   60                                       
CONECT   19   20   18   18   61                                       
CONECT   20   21   19   31   62                                       
CONECT   21   22   48   20   63                                       
CONECT   22   23   21   32   64                                       
CONECT   23   24   47   22   65                                       
CONECT   24   25   33   23   66                                       
CONECT   25   26   45   24   67                                       
CONECT   26   27   34   25   68                                       
CONECT   27   28   44   26   69                                       
CONECT   28   29   29   27   70                                       
CONECT   29   43   28   28   71                                       
CONECT   30   16   72   73   74                                       
CONECT   31   20   75   76   77                                       
CONECT   32   22   78   79   80                                       
CONECT   33   24   81   82   83                                       
CONECT   34   26   84   85   86                                       
CONECT   35   36   46   46   45                                       
CONECT   36   35   87   88   89                                       
CONECT   37   44   90   91   92                                       
CONECT   38    2   15   93                                            
CONECT   39    1   94                                                 
CONECT   40    8   95                                                 
CONECT   41   12    6                                                 
CONECT   42   11   96                                                 
CONECT   43   12   29                                                 
CONECT   44   37   27                                                 
CONECT   45   35   25                                                 
CONECT   46   35   35                                                 
CONECT   47   23   97                                                 
CONECT   48   21   98                                                 
CONECT   49   15   15                                                 
CONECT   50    4   99                                                 
CONECT   51    3                                                      
CONECT   52   11                                                      
CONECT   53   13                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   34                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   36                                                      
CONECT   90   37                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   47                                                      
CONECT   98   48                                                      
CONECT   99   50                                                      
MASTER        0    0    0    0    0    0    0    0   99    0   99    0
END
