COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      21.529   2.013  -5.013  1.00  0.00           C  
HETATM    2  C   UNL     1      20.704   1.847  -3.735  1.00  0.00           C  
HETATM    3  C   UNL     1      19.224   2.072  -4.052  1.00  0.00           C  
HETATM    4  C   UNL     1      18.398   1.906  -2.774  1.00  0.00           C  
HETATM    5  C   UNL     1      16.918   2.131  -3.091  1.00  0.00           C  
HETATM    6  C   UNL     1      16.093   1.966  -1.813  1.00  0.00           C  
HETATM    7  C   UNL     1      14.613   2.190  -2.130  1.00  0.00           C  
HETATM    8  C   UNL     1      13.787   2.025  -0.852  1.00  0.00           C  
HETATM    9  C   UNL     1      12.307   2.249  -1.168  1.00  0.00           C  
HETATM   10  C   UNL     1      11.482   2.084   0.109  1.00  0.00           C  
HETATM   11  C   UNL     1      10.002   2.308  -0.207  1.00  0.00           C  
HETATM   12  C   UNL     1       9.176   2.143   1.070  1.00  0.00           C  
HETATM   13  C   UNL     1       7.696   2.367   0.754  1.00  0.00           C  
HETATM   14  C   UNL     1       6.871   2.202   2.031  1.00  0.00           C  
HETATM   15  C   UNL     1       5.391   2.426   1.715  1.00  0.00           C  
HETATM   16  C   UNL     1       4.578   2.264   2.973  1.00  0.00           C  
HETATM   17  O   UNL     1       5.126   1.996   4.016  1.00  0.00           O  
HETATM   18  O   UNL     1       3.245   2.416   2.935  1.00  0.00           O  
HETATM   19  C   UNL     1       2.526   2.245   4.185  1.00  0.00           C  
HETATM   20  C   UNL     1       2.120   0.778   4.343  1.00  0.00           C  
HETATM   21  O   UNL     1       1.187   0.429   3.319  1.00  0.00           O  
HETATM   22  P   UNL     1       0.546  -1.041   3.181  1.00  0.00           P  
HETATM   23  O   UNL     1       1.630  -2.046   3.097  1.00  0.00           O  
HETATM   24  O   UNL     1      -0.373  -1.349   4.467  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.355  -1.111   1.849  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.975  -2.314   1.390  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.457  -2.654  -0.009  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.770  -1.586  -0.905  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.120  -3.942  -0.499  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.637  -4.260  -1.806  1.00  0.00           O  
HETATM   31  P   UNL     1       0.135  -5.631  -2.146  1.00  0.00           P  
HETATM   32  O   UNL     1       0.417  -5.710  -3.729  1.00  0.00           O  
HETATM   33  O   UNL     1       1.534  -5.671  -1.349  1.00  0.00           O  
HETATM   34  O   UNL     1      -0.700  -6.782  -1.735  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.637  -3.747  -0.551  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.257  -4.950  -1.009  1.00  0.00           O  
HETATM   37  P   UNL     1      -4.158  -5.020  -2.341  1.00  0.00           P  
HETATM   38  O   UNL     1      -4.583  -6.547  -2.622  1.00  0.00           O  
HETATM   39  O   UNL     1      -5.480  -4.123  -2.143  1.00  0.00           O  
HETATM   40  O   UNL     1      -3.380  -4.505  -3.490  1.00  0.00           O  
HETATM   41  C   UNL     1      -3.155  -3.407   0.848  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.572  -3.225   0.800  1.00  0.00           O  
HETATM   43  P   UNL     1      -5.601  -4.123   1.653  1.00  0.00           P  
HETATM   44  O   UNL     1      -7.096  -3.558   1.457  1.00  0.00           O  
HETATM   45  O   UNL     1      -5.532  -5.648   1.143  1.00  0.00           O  
HETATM   46  O   UNL     1      -5.236  -4.065   3.086  1.00  0.00           O  
HETATM   47  C   UNL     1      -2.491  -2.119   1.339  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.976  -1.802   2.646  1.00  0.00           O  
HETATM   49  C   UNL     1       1.273   3.123   4.177  1.00  0.00           C  
HETATM   50  O   UNL     1       0.363   2.659   3.145  1.00  0.00           O  
HETATM   51  C   UNL     1      -0.792   3.327   3.006  1.00  0.00           C  
HETATM   52  O   UNL     1      -1.036   4.268   3.723  1.00  0.00           O  
HETATM   53  C   UNL     1      -1.786   2.903   1.954  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.007   3.823   2.007  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.016   3.393   0.940  1.00  0.00           C  
HETATM   56  C   UNL     1      -5.237   4.313   0.992  1.00  0.00           C  
HETATM   57  C   UNL     1      -6.246   3.883  -0.075  1.00  0.00           C  
HETATM   58  C   UNL     1      -7.467   4.802  -0.023  1.00  0.00           C  
HETATM   59  C   UNL     1      -8.476   4.372  -1.089  1.00  0.00           C  
HETATM   60  C   UNL     1      -9.697   5.292  -1.037  1.00  0.00           C  
HETATM   61  C   UNL     1     -10.706   4.862  -2.104  1.00  0.00           C  
HETATM   62  C   UNL     1     -11.927   5.782  -2.052  1.00  0.00           C  
HETATM   63  C   UNL     1     -12.936   5.352  -3.119  1.00  0.00           C  
HETATM   64  C   UNL     1     -14.157   6.271  -3.066  1.00  0.00           C  
HETATM   65  C   UNL     1     -15.166   5.841  -4.134  1.00  0.00           C  
HETATM   66  C   UNL     1     -16.388   6.761  -4.081  1.00  0.00           C  
HETATM   67  C   UNL     1     -17.396   6.331  -5.148  1.00  0.00           C  
HETATM   68  H   UNL     1      21.201   1.284  -5.754  1.00  0.00           H  
HETATM   69  H   UNL     1      21.390   3.019  -5.407  1.00  0.00           H  
HETATM   70  H   UNL     1      22.583   1.853  -4.787  1.00  0.00           H  
HETATM   71  H   UNL     1      20.842   0.841  -3.341  1.00  0.00           H  
HETATM   72  H   UNL     1      21.031   2.576  -2.994  1.00  0.00           H  
HETATM   73  H   UNL     1      19.085   3.078  -4.446  1.00  0.00           H  
HETATM   74  H   UNL     1      18.896   1.343  -4.793  1.00  0.00           H  
HETATM   75  H   UNL     1      18.537   0.900  -2.380  1.00  0.00           H  
HETATM   76  H   UNL     1      18.726   2.635  -2.033  1.00  0.00           H  
HETATM   77  H   UNL     1      16.779   3.137  -3.485  1.00  0.00           H  
HETATM   78  H   UNL     1      16.590   1.402  -3.832  1.00  0.00           H  
HETATM   79  H   UNL     1      16.231   0.959  -1.419  1.00  0.00           H  
HETATM   80  H   UNL     1      16.420   2.695  -1.072  1.00  0.00           H  
HETATM   81  H   UNL     1      14.474   3.197  -2.524  1.00  0.00           H  
HETATM   82  H   UNL     1      14.285   1.461  -2.871  1.00  0.00           H  
HETATM   83  H   UNL     1      13.926   1.018  -0.458  1.00  0.00           H  
HETATM   84  H   UNL     1      14.115   2.754  -0.111  1.00  0.00           H  
HETATM   85  H   UNL     1      12.168   3.256  -1.563  1.00  0.00           H  
HETATM   86  H   UNL     1      11.979   1.520  -1.910  1.00  0.00           H  
HETATM   87  H   UNL     1      11.620   1.077   0.504  1.00  0.00           H  
HETATM   88  H   UNL     1      11.809   2.813   0.850  1.00  0.00           H  
HETATM   89  H   UNL     1       9.863   3.315  -0.602  1.00  0.00           H  
HETATM   90  H   UNL     1       9.674   1.579  -0.948  1.00  0.00           H  
HETATM   91  H   UNL     1       9.315   1.136   1.465  1.00  0.00           H  
HETATM   92  H   UNL     1       9.504   2.872   1.811  1.00  0.00           H  
HETATM   93  H   UNL     1       7.558   3.374   0.359  1.00  0.00           H  
HETATM   94  H   UNL     1       7.369   1.638   0.013  1.00  0.00           H  
HETATM   95  H   UNL     1       7.010   1.195   2.426  1.00  0.00           H  
HETATM   96  H   UNL     1       7.199   2.931   2.773  1.00  0.00           H  
HETATM   97  H   UNL     1       5.252   3.433   1.320  1.00  0.00           H  
HETATM   98  H   UNL     1       5.063   1.697   0.974  1.00  0.00           H  
HETATM   99  H   UNL     1       3.168   2.536   5.017  1.00  0.00           H  
HETATM  100  H   UNL     1       3.004   0.146   4.260  1.00  0.00           H  
HETATM  101  H   UNL     1       1.660   0.632   5.320  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.105  -0.729   4.585  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.736  -3.129   2.074  1.00  0.00           H  
HETATM  104  H   UNL     1       0.624  -2.793   0.028  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.381  -0.737  -0.655  1.00  0.00           H  
HETATM  106  H   UNL     1      -0.882  -4.757   0.184  1.00  0.00           H  
HETATM  107  H   UNL     1       0.880  -6.512  -4.006  1.00  0.00           H  
HETATM  108  H   UNL     1       2.133  -4.945  -1.569  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.876  -2.932  -1.234  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.129  -6.665  -3.412  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.039  -4.404  -1.406  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.917  -4.222   1.532  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.770  -4.052   1.943  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.760  -5.762   0.210  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.730  -1.304   0.655  1.00  0.00           H  
HETATM  116  H   UNL     1      -2.596  -0.995   3.020  1.00  0.00           H  
HETATM  117  H   UNL     1       0.781   3.062   5.148  1.00  0.00           H  
HETATM  118  H   UNL     1       1.554   4.156   3.976  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.323   2.969   0.970  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.097   1.875   2.142  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.470   3.757   2.992  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.696   4.851   1.819  1.00  0.00           H  
HETATM  123  H   UNL     1      -3.553   3.459  -0.045  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.327   2.365   1.127  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.700   4.247   1.977  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.926   5.341   0.805  1.00  0.00           H  
HETATM  127  H   UNL     1      -5.783   3.948  -1.060  1.00  0.00           H  
HETATM  128  H   UNL     1      -6.557   2.855   0.112  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.930   4.737   0.962  1.00  0.00           H  
HETATM  130  H   UNL     1      -7.156   5.830  -0.210  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.013   4.438  -2.074  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.787   3.345  -0.902  1.00  0.00           H  
HETATM  133  H   UNL     1     -10.160   5.226  -0.052  1.00  0.00           H  
HETATM  134  H   UNL     1      -9.386   6.320  -1.224  1.00  0.00           H  
HETATM  135  H   UNL     1     -10.243   4.928  -3.089  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.017   3.834  -1.917  1.00  0.00           H  
HETATM  137  H   UNL     1     -12.390   5.716  -1.067  1.00  0.00           H  
HETATM  138  H   UNL     1     -11.616   6.810  -2.239  1.00  0.00           H  
HETATM  139  H   UNL     1     -12.473   5.418  -4.104  1.00  0.00           H  
HETATM  140  H   UNL     1     -13.247   4.324  -2.931  1.00  0.00           H  
HETATM  141  H   UNL     1     -14.620   6.206  -2.082  1.00  0.00           H  
HETATM  142  H   UNL     1     -13.847   7.299  -3.254  1.00  0.00           H  
HETATM  143  H   UNL     1     -14.703   5.907  -5.118  1.00  0.00           H  
HETATM  144  H   UNL     1     -15.477   4.813  -3.946  1.00  0.00           H  
HETATM  145  H   UNL     1     -16.850   6.695  -3.096  1.00  0.00           H  
HETATM  146  H   UNL     1     -16.077   7.789  -4.268  1.00  0.00           H  
HETATM  147  H   UNL     1     -16.934   6.397  -6.133  1.00  0.00           H  
HETATM  148  H   UNL     1     -17.707   5.303  -4.961  1.00  0.00           H  
HETATM  149  H   UNL     1     -18.266   6.986  -5.111  1.00  0.00           H  
CONECT    1    2   68   69   70                                       
CONECT    2    3    1   71   72                                       
CONECT    3    4    2   73   74                                       
CONECT    4    5    3   75   76                                       
CONECT    5    6    4   77   78                                       
CONECT    6    5    7   79   80                                       
CONECT    7    8    6   81   82                                       
CONECT    8    9    7   83   84                                       
CONECT    9   10    8   85   86                                       
CONECT   10   11    9   87   88                                       
CONECT   11   12   10   89   90                                       
CONECT   12   13   11   91   92                                       
CONECT   13   14   12   93   94                                       
CONECT   14   15   13   95   96                                       
CONECT   15   16   14   97   98                                       
CONECT   16   17   17   18   15                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   49   18   20   99                                       
CONECT   20   19   21  100  101                                       
CONECT   21   20   22                                                 
CONECT   22   21   25   23   23                                       
CONECT   22   24                                                      
CONECT   23   22   22                                                 
CONECT   24   22  102                                                 
CONECT   25   26   22                                                 
CONECT   26   47   25   27  103                                       
CONECT   27   26   29   28  104                                       
CONECT   28   27  105                                                 
CONECT   29   35   27   30  106                                       
CONECT   30   29   31                                                 
CONECT   31   34   34   30   33                                       
CONECT   31   32                                                      
CONECT   32   31  107                                                 
CONECT   33   31  108                                                 
CONECT   34   31   31                                                 
CONECT   35   41   36   29  109                                       
CONECT   36   37   35                                                 
CONECT   37   40   40   39   36                                       
CONECT   37   38                                                      
CONECT   38   37  110                                                 
CONECT   39   37  111                                                 
CONECT   40   37   37                                                 
CONECT   41   42   47   35  112                                       
CONECT   42   43   41                                                 
CONECT   43   46   46   44   45                                       
CONECT   43   42                                                      
CONECT   44   43  113                                                 
CONECT   45   43  114                                                 
CONECT   46   43   43                                                 
CONECT   47   48   41   26  115                                       
CONECT   48   47  116                                                 
CONECT   49   50   19  117  118                                       
CONECT   50   51   49                                                 
CONECT   51   53   50   52   52                                       
CONECT   52   51   51                                                 
CONECT   53   54   51  119  120                                       
CONECT   54   53   55  121  122                                       
CONECT   55   54   56  123  124                                       
CONECT   56   55   57  125  126                                       
CONECT   57   56   58  127  128                                       
CONECT   58   57   59  129  130                                       
CONECT   59   58   60  131  132                                       
CONECT   60   59   61  133  134                                       
CONECT   61   60   62  135  136                                       
CONECT   62   61   63  137  138                                       
CONECT   63   62   64  139  140                                       
CONECT   64   63   65  141  142                                       
CONECT   65   64   66  143  144                                       
CONECT   66   65   67  145  146                                       
CONECT   67   66  147  148  149                                       
CONECT   68    1                                                      
CONECT   69    1                                                      
CONECT   70    1                                                      
CONECT   71    2                                                      
CONECT   72    2                                                      
CONECT   73    3                                                      
CONECT   74    3                                                      
CONECT   75    4                                                      
CONECT   76    4                                                      
CONECT   77    5                                                      
CONECT   78    5                                                      
CONECT   79    6                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    7                                                      
CONECT   83    8                                                      
CONECT   84    8                                                      
CONECT   85    9                                                      
CONECT   86    9                                                      
CONECT   87   10                                                      
CONECT   88   10                                                      
CONECT   89   11                                                      
CONECT   90   11                                                      
CONECT   91   12                                                      
CONECT   92   12                                                      
CONECT   93   13                                                      
CONECT   94   13                                                      
CONECT   95   14                                                      
CONECT   96   14                                                      
CONECT   97   15                                                      
CONECT   98   15                                                      
CONECT   99   19                                                      
CONECT  100   20                                                      
CONECT  101   20                                                      
CONECT  102   24                                                      
CONECT  103   26                                                      
CONECT  104   27                                                      
CONECT  105   28                                                      
CONECT  106   29                                                      
CONECT  107   32                                                      
CONECT  108   33                                                      
CONECT  109   35                                                      
CONECT  110   38                                                      
CONECT  111   39                                                      
CONECT  112   41                                                      
CONECT  113   44                                                      
CONECT  114   45                                                      
CONECT  115   47                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   49                                                      
CONECT  119   53                                                      
CONECT  120   53                                                      
CONECT  121   54                                                      
CONECT  122   54                                                      
CONECT  123   55                                                      
CONECT  124   55                                                      
CONECT  125   56                                                      
CONECT  126   56                                                      
CONECT  127   57                                                      
CONECT  128   57                                                      
CONECT  129   58                                                      
CONECT  130   58                                                      
CONECT  131   59                                                      
CONECT  132   59                                                      
CONECT  133   60                                                      
CONECT  134   60                                                      
CONECT  135   61                                                      
CONECT  136   61                                                      
CONECT  137   62                                                      
CONECT  138   62                                                      
CONECT  139   63                                                      
CONECT  140   63                                                      
CONECT  141   64                                                      
CONECT  142   64                                                      
CONECT  143   65                                                      
CONECT  144   65                                                      
CONECT  145   66                                                      
CONECT  146   66                                                      
CONECT  147   67                                                      
CONECT  148   67                                                      
CONECT  149   67                                                      
MASTER        0    0    0    0    0    0    0    0  149    0  149    0
END
