COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.221   3.353  -0.387  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.189   1.797  -0.213  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.270   1.541   0.961  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.854   1.138   0.620  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.689  -0.382   0.880  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.426   1.481  -0.821  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.352   0.774  -1.765  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.798   1.230  -1.559  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.405   2.995  -1.108  1.00  0.00           C  
HETATM   10  C   UNL     1       1.069   1.114  -0.829  1.00  0.00           C  
HETATM   11  C   UNL     1       1.530   1.326   0.632  1.00  0.00           C  
HETATM   12  C   UNL     1       0.277   1.836   1.412  1.00  0.00           C  
HETATM   13  C   UNL     1       1.392  -0.263  -1.371  1.00  0.00           C  
HETATM   14  C   UNL     1       2.880  -0.554  -1.170  1.00  0.00           C  
HETATM   15  C   UNL     1       3.182  -1.990  -1.603  1.00  0.00           C  
HETATM   16  C   UNL     1       4.670  -2.282  -1.402  1.00  0.00           C  
HETATM   17  C   UNL     1       6.143  -1.462   0.302  1.00  0.00           C  
HETATM   18  C   UNL     1       5.751  -0.288   1.203  1.00  0.00           C  
HETATM   19  C   UNL     1       7.111   1.565   0.524  1.00  0.00           C  
HETATM   20  C   UNL     1       7.600   1.969  -1.789  1.00  0.00           C  
HETATM   21  C   UNL     1       7.870   1.254  -3.115  1.00  0.00           C  
HETATM   22  C   UNL     1       8.798   2.852  -1.432  1.00  0.00           C  
HETATM   23  C   UNL     1       8.546   3.517  -0.075  1.00  0.00           C  
HETATM   24  C   UNL     1       8.290   2.431   0.974  1.00  0.00           C  
HETATM   25  C   UNL     1       5.188  -0.832   2.520  1.00  0.00           C  
HETATM   26  C   UNL     1       6.234  -1.741   3.172  1.00  0.00           C  
HETATM   27  C   UNL     1       6.608  -2.859   2.195  1.00  0.00           C  
HETATM   28  C   UNL     1       7.697  -3.736   2.816  1.00  0.00           C  
HETATM   29  C   UNL     1       4.996  -3.673  -1.950  1.00  0.00           C  
HETATM   30  C   UNL     1       6.503  -3.919  -1.853  1.00  0.00           C  
HETATM   31  C   UNL     1       4.253  -4.730  -1.131  1.00  0.00           C  
HETATM   32  C   UNL     1       1.059  -0.314  -2.864  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.864   0.469   1.886  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.234   0.882   2.361  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.081   1.309   1.483  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.660   1.584   0.074  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.405   0.658  -0.876  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.906   0.923  -0.676  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.334   0.613   0.752  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.561   1.435   1.788  1.00  0.00           C  
HETATM   41  C   UNL     1      -6.983   2.902   1.727  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.882   0.880   3.181  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.570  -0.240   0.605  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.225  -1.715  -1.169  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.990  -2.007  -2.652  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.708  -1.414  -0.937  1.00  0.00           C  
HETATM   47  C   UNL     1     -11.925  -1.064   0.539  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.026   0.120   0.909  1.00  0.00           C  
HETATM   49  O   UNL     1      -3.129   2.196  -2.581  1.00  0.00           O  
HETATM   50  O   UNL     1       4.981  -2.234  -0.009  1.00  0.00           O  
HETATM   51  O   UNL     1       6.902   0.515   1.470  1.00  0.00           O  
HETATM   52  O   UNL     1       7.398   1.001  -0.758  1.00  0.00           O  
HETATM   53  O   UNL     1       6.707   0.523  -3.507  1.00  0.00           O  
HETATM   54  O   UNL     1       7.982   3.042   2.229  1.00  0.00           O  
HETATM   55  O   UNL     1       9.691   4.285   0.301  1.00  0.00           O  
HETATM   56  O   UNL     1       8.967   3.857  -2.433  1.00  0.00           O  
HETATM   57  O   UNL     1       4.000  -1.581   2.260  1.00  0.00           O  
HETATM   58  O   UNL     1       7.095  -2.284   0.980  1.00  0.00           O  
HETATM   59  O   UNL     1       7.979  -4.833   1.944  1.00  0.00           O  
HETATM   60  O   UNL     1       5.694  -2.311   4.366  1.00  0.00           O  
HETATM   61  O   UNL     1       4.587  -3.754  -3.317  1.00  0.00           O  
HETATM   62  O   UNL     1      -8.731   0.880   0.895  1.00  0.00           O  
HETATM   63  O   UNL     1      -9.444  -0.585  -0.776  1.00  0.00           O  
HETATM   64  O   UNL     1      -8.631  -2.401  -2.851  1.00  0.00           O  
HETATM   65  O   UNL     1     -11.166   0.409   2.301  1.00  0.00           O  
HETATM   66  O   UNL     1     -13.293  -0.710   0.750  1.00  0.00           O  
HETATM   67  O   UNL     1     -12.487  -2.563  -1.274  1.00  0.00           O  
HETATM   68  H   UNL     1      -2.213   3.752  -0.271  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.598   3.600  -1.379  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.873   3.790   0.370  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.220   2.478   1.563  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.329  -0.939   0.196  1.00  0.00           H  
HETATM   73  H   UNL     1       0.351  -0.667   0.718  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.971  -0.607   1.908  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.048   0.992  -2.802  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.296  -0.312  -1.650  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.437   0.346  -1.758  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.157   3.535  -0.194  1.00  0.00           H  
HETATM   79  H   UNL     1       0.343   3.209  -1.871  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.386   3.312  -1.462  1.00  0.00           H  
HETATM   81  H   UNL     1       1.582   1.870  -1.456  1.00  0.00           H  
HETATM   82  H   UNL     1       1.900   0.402   1.066  1.00  0.00           H  
HETATM   83  H   UNL     1       2.312   2.086   0.663  1.00  0.00           H  
HETATM   84  H   UNL     1       0.202   2.911   1.383  1.00  0.00           H  
HETATM   85  H   UNL     1       0.295   1.469   2.437  1.00  0.00           H  
HETATM   86  H   UNL     1       0.801  -1.010  -0.841  1.00  0.00           H  
HETATM   87  H   UNL     1       3.470   0.138  -1.771  1.00  0.00           H  
HETATM   88  H   UNL     1       3.136  -0.431  -0.118  1.00  0.00           H  
HETATM   89  H   UNL     1       2.592  -2.682  -1.002  1.00  0.00           H  
HETATM   90  H   UNL     1       2.926  -2.114  -2.655  1.00  0.00           H  
HETATM   91  H   UNL     1       5.261  -1.535  -1.932  1.00  0.00           H  
HETATM   92  H   UNL     1       6.583  -1.081  -0.620  1.00  0.00           H  
HETATM   93  H   UNL     1       4.992   0.316   0.705  1.00  0.00           H  
HETATM   94  H   UNL     1       6.213   2.179   0.458  1.00  0.00           H  
HETATM   95  H   UNL     1       6.708   2.589  -1.885  1.00  0.00           H  
HETATM   96  H   UNL     1       8.112   1.990  -3.882  1.00  0.00           H  
HETATM   97  H   UNL     1       8.707   0.567  -2.993  1.00  0.00           H  
HETATM   98  H   UNL     1       9.698   2.239  -1.375  1.00  0.00           H  
HETATM   99  H   UNL     1       7.675   4.169  -0.145  1.00  0.00           H  
HETATM  100  H   UNL     1       9.180   1.809   1.079  1.00  0.00           H  
HETATM  101  H   UNL     1       4.959  -0.002   3.188  1.00  0.00           H  
HETATM  102  H   UNL     1       7.123  -1.158   3.416  1.00  0.00           H  
HETATM  103  H   UNL     1       5.728  -3.466   1.983  1.00  0.00           H  
HETATM  104  H   UNL     1       8.601  -3.146   2.961  1.00  0.00           H  
HETATM  105  H   UNL     1       7.353  -4.116   3.778  1.00  0.00           H  
HETATM  106  H   UNL     1       6.798  -3.958  -0.805  1.00  0.00           H  
HETATM  107  H   UNL     1       6.748  -4.865  -2.335  1.00  0.00           H  
HETATM  108  H   UNL     1       7.036  -3.109  -2.351  1.00  0.00           H  
HETATM  109  H   UNL     1       3.179  -4.555  -1.200  1.00  0.00           H  
HETATM  110  H   UNL     1       4.485  -5.721  -1.521  1.00  0.00           H  
HETATM  111  H   UNL     1       4.565  -4.668  -0.089  1.00  0.00           H  
HETATM  112  H   UNL     1       1.512   0.540  -3.366  1.00  0.00           H  
HETATM  113  H   UNL     1       1.450  -1.237  -3.292  1.00  0.00           H  
HETATM  114  H   UNL     1      -0.023  -0.282  -2.996  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.033  -0.458   1.329  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.234   0.307   2.755  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.426   0.853   3.417  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.100   2.593  -0.147  1.00  0.00           H  
HETATM  119  H   UNL     1      -5.156   0.895  -1.912  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.177  -0.383  -0.673  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.106   1.975  -0.895  1.00  0.00           H  
HETATM  122  H   UNL     1      -7.481   0.309  -1.373  1.00  0.00           H  
HETATM  123  H   UNL     1      -7.164  -0.455   0.950  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.788   3.295   0.730  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.048   2.982   1.948  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.416   3.474   2.461  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.321   1.436   3.932  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.950   0.982   3.375  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.604  -0.173   3.225  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.269  -1.088   1.220  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.933  -2.583  -0.577  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.652  -2.811  -2.974  1.00  0.00           H  
HETATM  133  H   UNL     1     -10.197  -1.110  -3.236  1.00  0.00           H  
HETATM  134  H   UNL     1     -12.011  -0.572  -1.559  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.669  -1.923   1.159  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.315   0.993   0.324  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.910   1.910  -3.478  1.00  0.00           H  
HETATM  138  H   UNL     1       6.806   0.043  -4.341  1.00  0.00           H  
HETATM  139  H   UNL     1       7.804   2.411   2.940  1.00  0.00           H  
HETATM  140  H   UNL     1       9.601   4.735   1.152  1.00  0.00           H  
HETATM  141  H   UNL     1       9.710   4.454  -2.270  1.00  0.00           H  
HETATM  142  H   UNL     1       3.589  -1.955   3.051  1.00  0.00           H  
HETATM  143  H   UNL     1       8.661  -5.433   2.275  1.00  0.00           H  
HETATM  144  H   UNL     1       6.304  -2.900   4.832  1.00  0.00           H  
HETATM  145  H   UNL     1       5.019  -3.111  -3.896  1.00  0.00           H  
HETATM  146  H   UNL     1      -8.410  -2.602  -3.770  1.00  0.00           H  
HETATM  147  H   UNL     1     -10.621   1.147   2.606  1.00  0.00           H  
HETATM  148  H   UNL     1     -13.502  -0.476   1.665  1.00  0.00           H  
HETATM  149  H   UNL     1     -13.439  -2.444  -1.151  1.00  0.00           H  
CONECT    1    2   68   69   70                                       
CONECT    2    1    3    8   36                                       
CONECT    3    2    4   33   71                                       
CONECT    4    3    5    6   12                                       
CONECT    5    4   72   73   74                                       
CONECT    6    4    7    9   10                                       
CONECT    7    6    8   75   76                                       
CONECT    8    2    7   49   77                                       
CONECT    9    6   78   79   80                                       
CONECT   10    6   11   13   81                                       
CONECT   11   10   12   82   83                                       
CONECT   12    4   11   84   85                                       
CONECT   13   10   14   32   86                                       
CONECT   14   13   15   87   88                                       
CONECT   15   14   16   89   90                                       
CONECT   16   15   29   50   91                                       
CONECT   17   18   50   58   92                                       
CONECT   18   17   25   51   93                                       
CONECT   19   24   51   52   94                                       
CONECT   20   21   22   52   95                                       
CONECT   21   20   53   96   97                                       
CONECT   22   20   23   56   98                                       
CONECT   23   22   24   55   99                                       
CONECT   24   19   23   54  100                                       
CONECT   25   18   26   57  101                                       
CONECT   26   25   27   60  102                                       
CONECT   27   26   28   58  103                                       
CONECT   28   27   59  104  105                                       
CONECT   29   16   30   31   61                                       
CONECT   30   29  106  107  108                                       
CONECT   31   29  109  110  111                                       
CONECT   32   13  112  113  114                                       
CONECT   33    3   34  115  116                                       
CONECT   34   33   35   35  117                                       
CONECT   35   34   34   36   40                                       
CONECT   36    2   35   37  118                                       
CONECT   37   36   38  119  120                                       
CONECT   38   37   39  121  122                                       
CONECT   39   38   40   62  123                                       
CONECT   40   35   39   41   42                                       
CONECT   41   40  124  125  126                                       
CONECT   42   40  127  128  129                                       
CONECT   43   48   62   63  130                                       
CONECT   44   45   46   63  131                                       
CONECT   45   44   64  132  133                                       
CONECT   46   44   47   67  134                                       
CONECT   47   46   48   66  135                                       
CONECT   48   43   47   65  136                                       
CONECT   49    8  137                                                 
CONECT   50   16   17                                                 
CONECT   51   18   19                                                 
CONECT   52   19   20                                                 
CONECT   53   21  138                                                 
CONECT   54   24  139                                                 
CONECT   55   23  140                                                 
CONECT   56   22  141                                                 
CONECT   57   25  142                                                 
CONECT   58   17   27                                                 
CONECT   59   28  143                                                 
CONECT   60   26  144                                                 
CONECT   61   29  145                                                 
CONECT   62   39   43                                                 
CONECT   63   43   44                                                 
CONECT   64   45  146                                                 
CONECT   65   48  147                                                 
CONECT   66   47  148                                                 
CONECT   67   46  149                                                 
CONECT   68    1                                                      
CONECT   69    1                                                      
CONECT   70    1                                                      
CONECT   71    3                                                      
CONECT   72    5                                                      
CONECT   73    5                                                      
CONECT   74    5                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    9                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   11                                                      
CONECT   83   11                                                      
CONECT   84   12                                                      
CONECT   85   12                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   17                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   20                                                      
CONECT   96   21                                                      
CONECT   97   21                                                      
CONECT   98   22                                                      
CONECT   99   23                                                      
CONECT  100   24                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   27                                                      
CONECT  104   28                                                      
CONECT  105   28                                                      
CONECT  106   30                                                      
CONECT  107   30                                                      
CONECT  108   30                                                      
CONECT  109   31                                                      
CONECT  110   31                                                      
CONECT  111   31                                                      
CONECT  112   32                                                      
CONECT  113   32                                                      
CONECT  114   32                                                      
CONECT  115   33                                                      
CONECT  116   33                                                      
CONECT  117   34                                                      
CONECT  118   36                                                      
CONECT  119   37                                                      
CONECT  120   37                                                      
CONECT  121   38                                                      
CONECT  122   38                                                      
CONECT  123   39                                                      
CONECT  124   41                                                      
CONECT  125   41                                                      
CONECT  126   41                                                      
CONECT  127   42                                                      
CONECT  128   42                                                      
CONECT  129   42                                                      
CONECT  130   43                                                      
CONECT  131   44                                                      
CONECT  132   45                                                      
CONECT  133   45                                                      
CONECT  134   46                                                      
CONECT  135   47                                                      
CONECT  136   48                                                      
CONECT  137   49                                                      
CONECT  138   53                                                      
CONECT  139   54                                                      
CONECT  140   55                                                      
CONECT  141   56                                                      
CONECT  142   57                                                      
CONECT  143   59                                                      
CONECT  144   60                                                      
CONECT  145   61                                                      
CONECT  146   64                                                      
CONECT  147   65                                                      
CONECT  148   66                                                      
CONECT  149   67                                                      
MASTER        0    0    0    0    0    0    0    0  149    0  149    0
END
