COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.251  -5.765  -1.994  1.00  0.00           C  
HETATM    2  C   UNL     1       5.964  -4.440  -1.916  1.00  0.00           C  
HETATM    3  O   UNL     1       5.484  -3.464  -2.441  1.00  0.00           O  
HETATM    4  C   UNL     1       7.277  -4.332  -1.185  1.00  0.00           C  
HETATM    5  C   UNL     1       8.427  -4.604  -2.157  1.00  0.00           C  
HETATM    6  C   UNL     1       7.424  -2.924  -0.604  1.00  0.00           C  
HETATM    7  C   UNL     1       8.696  -2.852   0.243  1.00  0.00           C  
HETATM    8  C   UNL     1       8.842  -1.444   0.824  1.00  0.00           C  
HETATM    9  O   UNL     1       9.041  -0.508  -0.237  1.00  0.00           O  
HETATM   10  C   UNL     1      10.045  -1.405   1.770  1.00  0.00           C  
HETATM   11  C   UNL     1       9.809  -2.362   2.939  1.00  0.00           C  
HETATM   12  C   UNL     1      10.220   0.022   2.301  1.00  0.00           C  
HETATM   13  C   UNL     1      10.381   0.979   1.116  1.00  0.00           C  
HETATM   14  C   UNL     1       9.166   0.848   0.194  1.00  0.00           C  
HETATM   15  O   UNL     1       7.987   1.235   0.901  1.00  0.00           O  
HETATM   16  C   UNL     1       9.352   1.756  -1.024  1.00  0.00           C  
HETATM   17  C   UNL     1       8.106   1.670  -1.911  1.00  0.00           C  
HETATM   18  C   UNL     1       6.876   2.052  -1.083  1.00  0.00           C  
HETATM   19  C   UNL     1       7.003   3.505  -0.620  1.00  0.00           C  
HETATM   20  C   UNL     1       6.785   1.131   0.136  1.00  0.00           C  
HETATM   21  C   UNL     1       5.592   1.544   1.000  1.00  0.00           C  
HETATM   22  C   UNL     1       5.576   0.708   2.281  1.00  0.00           C  
HETATM   23  C   UNL     1       4.294   1.310   0.223  1.00  0.00           C  
HETATM   24  C   UNL     1       3.111   1.838   1.036  1.00  0.00           C  
HETATM   25  C   UNL     1       1.814   1.605   0.260  1.00  0.00           C  
HETATM   26  O   UNL     1       1.828   2.385  -0.937  1.00  0.00           O  
HETATM   27  C   UNL     1       0.620   2.018   1.124  1.00  0.00           C  
HETATM   28  C   UNL     1       0.605   1.182   2.405  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.658   1.788   0.359  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.720   0.902  -0.460  1.00  0.00           O  
HETATM   31  C   UNL     1      -1.857   2.663   0.615  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.013   2.221  -0.285  1.00  0.00           C  
HETATM   33  O   UNL     1      -3.423   0.902   0.079  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.188   3.186  -0.116  1.00  0.00           C  
HETATM   35  O   UNL     1      -4.542   3.267   1.266  1.00  0.00           O  
HETATM   36  C   UNL     1      -4.993   4.560   1.675  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.386   2.675  -0.920  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.020   2.626  -2.405  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.250   2.222  -3.220  1.00  0.00           C  
HETATM   40  C   UNL     1      -4.539   4.006  -2.858  1.00  0.00           C  
HETATM   41  O   UNL     1      -5.743   1.344  -0.464  1.00  0.00           O  
HETATM   42  C   UNL     1      -7.034   0.992  -0.562  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.840   1.771  -1.013  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.479  -0.375  -0.109  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.987  -0.519  -0.327  1.00  0.00           C  
HETATM   46  O   UNL     1      -9.272  -0.473  -1.726  1.00  0.00           O  
HETATM   47  C   UNL     1      -9.452  -1.836   0.238  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.999  -3.102  -0.371  1.00  0.00           C  
HETATM   49  O   UNL     1      -7.925  -3.575  -0.059  1.00  0.00           O  
HETATM   50  O   UNL     1      -9.777  -3.732  -1.273  1.00  0.00           O  
HETATM   51  C   UNL     1     -10.280  -1.859   1.295  1.00  0.00           C  
HETATM   52  C   UNL     1     -10.828  -0.569   1.851  1.00  0.00           C  
HETATM   53  C   UNL     1     -10.654  -3.146   1.913  1.00  0.00           C  
HETATM   54  O   UNL     1     -10.136  -4.175   1.531  1.00  0.00           O  
HETATM   55  O   UNL     1     -11.570  -3.178   2.901  1.00  0.00           O  
HETATM   56  H   UNL     1       5.832  -6.521  -1.466  1.00  0.00           H  
HETATM   57  H   UNL     1       4.267  -5.675  -1.532  1.00  0.00           H  
HETATM   58  H   UNL     1       5.137  -6.056  -3.038  1.00  0.00           H  
HETATM   59  H   UNL     1       7.304  -5.063  -0.377  1.00  0.00           H  
HETATM   60  H   UNL     1       9.376  -4.527  -1.628  1.00  0.00           H  
HETATM   61  H   UNL     1       8.322  -5.607  -2.571  1.00  0.00           H  
HETATM   62  H   UNL     1       8.400  -3.873  -2.965  1.00  0.00           H  
HETATM   63  H   UNL     1       7.486  -2.201  -1.416  1.00  0.00           H  
HETATM   64  H   UNL     1       6.559  -2.697   0.020  1.00  0.00           H  
HETATM   65  H   UNL     1       8.633  -3.576   1.056  1.00  0.00           H  
HETATM   66  H   UNL     1       9.561  -3.079  -0.380  1.00  0.00           H  
HETATM   67  H   UNL     1       7.938  -1.183   1.375  1.00  0.00           H  
HETATM   68  H   UNL     1      10.943  -1.705   1.229  1.00  0.00           H  
HETATM   69  H   UNL     1       9.679  -3.375   2.559  1.00  0.00           H  
HETATM   70  H   UNL     1      10.666  -2.333   3.612  1.00  0.00           H  
HETATM   71  H   UNL     1       8.912  -2.060   3.480  1.00  0.00           H  
HETATM   72  H   UNL     1       9.343   0.304   2.882  1.00  0.00           H  
HETATM   73  H   UNL     1      11.108   0.069   2.931  1.00  0.00           H  
HETATM   74  H   UNL     1      10.450   2.003   1.483  1.00  0.00           H  
HETATM   75  H   UNL     1      11.286   0.727   0.564  1.00  0.00           H  
HETATM   76  H   UNL     1       9.493   2.785  -0.693  1.00  0.00           H  
HETATM   77  H   UNL     1      10.226   1.432  -1.590  1.00  0.00           H  
HETATM   78  H   UNL     1       8.209   2.357  -2.751  1.00  0.00           H  
HETATM   79  H   UNL     1       7.995   0.652  -2.285  1.00  0.00           H  
HETATM   80  H   UNL     1       5.978   1.941  -1.692  1.00  0.00           H  
HETATM   81  H   UNL     1       7.171   4.148  -1.483  1.00  0.00           H  
HETATM   82  H   UNL     1       6.085   3.807  -0.115  1.00  0.00           H  
HETATM   83  H   UNL     1       7.843   3.594   0.070  1.00  0.00           H  
HETATM   84  H   UNL     1       6.654   0.101  -0.196  1.00  0.00           H  
HETATM   85  H   UNL     1       5.677   2.600   1.256  1.00  0.00           H  
HETATM   86  H   UNL     1       5.576  -0.351   2.024  1.00  0.00           H  
HETATM   87  H   UNL     1       6.461   0.938   2.876  1.00  0.00           H  
HETATM   88  H   UNL     1       4.681   0.942   2.857  1.00  0.00           H  
HETATM   89  H   UNL     1       4.343   1.835  -0.731  1.00  0.00           H  
HETATM   90  H   UNL     1       4.165   0.243   0.044  1.00  0.00           H  
HETATM   91  H   UNL     1       3.063   1.313   1.991  1.00  0.00           H  
HETATM   92  H   UNL     1       3.240   2.906   1.215  1.00  0.00           H  
HETATM   93  H   UNL     1       1.728   0.549   0.004  1.00  0.00           H  
HETATM   94  H   UNL     1       1.902   3.337  -0.785  1.00  0.00           H  
HETATM   95  H   UNL     1       0.706   3.074   1.380  1.00  0.00           H  
HETATM   96  H   UNL     1       0.520   0.126   2.149  1.00  0.00           H  
HETATM   97  H   UNL     1       1.529   1.349   2.959  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.245   1.477   3.021  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.156   2.573   1.660  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.603   3.701   0.398  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.685   2.227  -1.325  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.727   0.823   0.993  1.00  0.00           H  
HETATM  103  H   UNL     1      -3.903   4.174  -0.477  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.158   4.564   2.753  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.240   5.305   1.420  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.926   4.798   1.164  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.233   3.347  -0.777  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.226   1.895  -2.559  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.044   2.952  -3.066  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.989   2.186  -4.278  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.593   1.239  -2.897  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.609   4.253  -2.345  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.368   3.996  -3.934  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.296   4.752  -2.617  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.954  -1.137  -0.685  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.252  -0.499   0.950  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.506   0.296   0.177  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.842  -1.171  -2.239  1.00  0.00           H  
HETATM  119  H   UNL     1      -9.437  -4.558  -1.644  1.00  0.00           H  
HETATM  120  H   UNL     1     -11.717  -0.281   1.291  1.00  0.00           H  
HETATM  121  H   UNL     1     -11.087  -0.707   2.901  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.074   0.213   1.763  1.00  0.00           H  
HETATM  123  H   UNL     1     -11.782  -4.045   3.274  1.00  0.00           H  
CONECT    1    2   56   57   58                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    5   59                                       
CONECT    5    4   60   61   62                                       
CONECT    6    4    7   63   64                                       
CONECT    7    6    8   65   66                                       
CONECT    8    7   10    9   67                                       
CONECT    9    8   14                                                 
CONECT   10    8   11   12   68                                       
CONECT   11   10   69   70   71                                       
CONECT   12   10   13   72   73                                       
CONECT   13   12   14   74   75                                       
CONECT   14    9   13   15   16                                       
CONECT   15   14   20                                                 
CONECT   16   14   17   76   77                                       
CONECT   17   16   18   78   79                                       
CONECT   18   17   20   19   80                                       
CONECT   19   18   81   82   83                                       
CONECT   20   15   18   21   84                                       
CONECT   21   20   22   23   85                                       
CONECT   22   21   86   87   88                                       
CONECT   23   21   24   89   90                                       
CONECT   24   23   25   91   92                                       
CONECT   25   24   27   26   93                                       
CONECT   26   25   94                                                 
CONECT   27   25   28   29   95                                       
CONECT   28   27   96   97   98                                       
CONECT   29   27   31   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   29   32   99  100                                       
CONECT   32   31   33   34  101                                       
CONECT   33   32  102                                                 
CONECT   34   32   35   37  103                                       
CONECT   35   34   36                                                 
CONECT   36   35  104  105  106                                       
CONECT   37   34   41   38  107                                       
CONECT   38   37   39   40  108                                       
CONECT   39   38  109  110  111                                       
CONECT   40   38  112  113  114                                       
CONECT   41   37   42                                                 
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45  115  116                                       
CONECT   45   44   47   46  117                                       
CONECT   46   45  118                                                 
CONECT   47   45   51   51   48                                       
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48  119                                                 
CONECT   51   47   47   53   52                                       
CONECT   52   51  120  121  122                                       
CONECT   53   51   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53  123                                                 
CONECT   56    1                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    8                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   11                                                      
CONECT   72   12                                                      
CONECT   73   12                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   19                                                      
CONECT   83   19                                                      
CONECT   84   20                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   22                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   28                                                      
CONECT   98   28                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   36                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   39                                                      
CONECT  111   39                                                      
CONECT  112   40                                                      
CONECT  113   40                                                      
CONECT  114   40                                                      
CONECT  115   44                                                      
CONECT  116   44                                                      
CONECT  117   45                                                      
CONECT  118   46                                                      
CONECT  119   50                                                      
CONECT  120   52                                                      
CONECT  121   52                                                      
CONECT  122   52                                                      
CONECT  123   55                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
