COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       0.381  -0.533   1.016  1.00  0.00           O  
HETATM    2  C   UNL     1       0.445   0.465   0.338  1.00  0.00           C  
HETATM    3  O   UNL     1       1.640   0.992   0.030  1.00  0.00           O  
HETATM    4  C   UNL     1       2.814   0.310   0.546  1.00  0.00           C  
HETATM    5  C   UNL     1       4.074   1.051   0.094  1.00  0.00           C  
HETATM    6  O   UNL     1       4.100   2.351   0.688  1.00  0.00           O  
HETATM    7  C   UNL     1       5.312   0.266   0.532  1.00  0.00           C  
HETATM    8  O   UNL     1       6.503   0.906   0.003  1.00  0.00           O  
HETATM    9  C   UNL     1       7.682   0.337   0.298  1.00  0.00           C  
HETATM   10  O   UNL     1       7.719  -0.663   0.975  1.00  0.00           O  
HETATM   11  C   UNL     1       8.962   0.945  -0.217  1.00  0.00           C  
HETATM   12  C   UNL     1      10.151   0.109   0.259  1.00  0.00           C  
HETATM   13  C   UNL     1      11.450   0.726  -0.263  1.00  0.00           C  
HETATM   14  C   UNL     1      12.640  -0.110   0.213  1.00  0.00           C  
HETATM   15  C   UNL     1      13.939   0.507  -0.310  1.00  0.00           C  
HETATM   16  C   UNL     1      15.128  -0.329   0.166  1.00  0.00           C  
HETATM   17  C   UNL     1      16.427   0.288  -0.356  1.00  0.00           C  
HETATM   18  C   UNL     1      17.617  -0.548   0.120  1.00  0.00           C  
HETATM   19  C   UNL     1      18.916   0.069  -0.402  1.00  0.00           C  
HETATM   20  C   UNL     1      20.105  -0.767   0.074  1.00  0.00           C  
HETATM   21  C   UNL     1      21.404  -0.150  -0.449  1.00  0.00           C  
HETATM   22  C   UNL     1      22.594  -0.986   0.027  1.00  0.00           C  
HETATM   23  C   UNL     1      23.892  -0.369  -0.495  1.00  0.00           C  
HETATM   24  C   UNL     1      25.082  -1.205  -0.019  1.00  0.00           C  
HETATM   25  C   UNL     1      26.381  -0.588  -0.541  1.00  0.00           C  
HETATM   26  C   UNL     1      27.570  -1.424  -0.065  1.00  0.00           C  
HETATM   27  C   UNL     1      28.869  -0.807  -0.588  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.818   1.114  -0.168  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.030   0.317   0.317  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.312   0.976  -0.197  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.525   0.179   0.288  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.807   0.838  -0.226  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.019   0.041   0.259  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.301   0.700  -0.254  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.514  -0.097   0.231  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.796   0.562  -0.283  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.008  -0.235   0.202  1.00  0.00           C  
HETATM   38  C   UNL     1     -13.290   0.425  -0.311  1.00  0.00           C  
HETATM   39  C   UNL     1     -14.503  -0.372   0.173  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.785   0.287  -0.340  1.00  0.00           C  
HETATM   41  C   UNL     1     -16.997  -0.510   0.145  1.00  0.00           C  
HETATM   42  C   UNL     1     -18.279   0.149  -0.369  1.00  0.00           C  
HETATM   43  C   UNL     1     -19.492  -0.648   0.116  1.00  0.00           C  
HETATM   44  C   UNL     1     -20.774   0.011  -0.397  1.00  0.00           C  
HETATM   45  C   UNL     1     -21.986  -0.786   0.087  1.00  0.00           C  
HETATM   46  C   UNL     1     -23.268  -0.127  -0.426  1.00  0.00           C  
HETATM   47  C   UNL     1     -24.481  -0.924   0.059  1.00  0.00           C  
HETATM   48  C   UNL     1     -25.763  -0.265  -0.455  1.00  0.00           C  
HETATM   49  C   UNL     1     -26.976  -1.062   0.030  1.00  0.00           C  
HETATM   50  C   UNL     1     -28.257  -0.402  -0.483  1.00  0.00           C  
HETATM   51  C   UNL     1     -29.470  -1.199   0.001  1.00  0.00           C  
HETATM   52  H   UNL     1       2.774   0.292   1.635  1.00  0.00           H  
HETATM   53  H   UNL     1       2.838  -0.711   0.166  1.00  0.00           H  
HETATM   54  H   UNL     1       4.070   1.148  -0.991  1.00  0.00           H  
HETATM   55  H   UNL     1       4.105   2.342   1.655  1.00  0.00           H  
HETATM   56  H   UNL     1       5.364   0.246   1.621  1.00  0.00           H  
HETATM   57  H   UNL     1       5.248  -0.754   0.153  1.00  0.00           H  
HETATM   58  H   UNL     1       8.943   0.963  -1.307  1.00  0.00           H  
HETATM   59  H   UNL     1       9.059   1.962   0.161  1.00  0.00           H  
HETATM   60  H   UNL     1      10.170   0.091   1.349  1.00  0.00           H  
HETATM   61  H   UNL     1      10.055  -0.909  -0.119  1.00  0.00           H  
HETATM   62  H   UNL     1      11.432   0.744  -1.353  1.00  0.00           H  
HETATM   63  H   UNL     1      11.547   1.744   0.115  1.00  0.00           H  
HETATM   64  H   UNL     1      12.659  -0.128   1.302  1.00  0.00           H  
HETATM   65  H   UNL     1      12.543  -1.128  -0.166  1.00  0.00           H  
HETATM   66  H   UNL     1      13.920   0.525  -1.399  1.00  0.00           H  
HETATM   67  H   UNL     1      14.035   1.525   0.069  1.00  0.00           H  
HETATM   68  H   UNL     1      15.147  -0.347   1.256  1.00  0.00           H  
HETATM   69  H   UNL     1      15.032  -1.347  -0.212  1.00  0.00           H  
HETATM   70  H   UNL     1      16.409   0.306  -1.446  1.00  0.00           H  
HETATM   71  H   UNL     1      16.524   1.306   0.022  1.00  0.00           H  
HETATM   72  H   UNL     1      17.635  -0.566   1.210  1.00  0.00           H  
HETATM   73  H   UNL     1      17.520  -1.566  -0.258  1.00  0.00           H  
HETATM   74  H   UNL     1      18.897   0.087  -1.492  1.00  0.00           H  
HETATM   75  H   UNL     1      19.012   1.087  -0.024  1.00  0.00           H  
HETATM   76  H   UNL     1      20.124  -0.785   1.163  1.00  0.00           H  
HETATM   77  H   UNL     1      20.009  -1.785  -0.305  1.00  0.00           H  
HETATM   78  H   UNL     1      21.385  -0.132  -1.538  1.00  0.00           H  
HETATM   79  H   UNL     1      21.501   0.868  -0.070  1.00  0.00           H  
HETATM   80  H   UNL     1      22.612  -1.004   1.117  1.00  0.00           H  
HETATM   81  H   UNL     1      22.497  -2.004  -0.351  1.00  0.00           H  
HETATM   82  H   UNL     1      23.874  -0.351  -1.585  1.00  0.00           H  
HETATM   83  H   UNL     1      23.989   0.649  -0.117  1.00  0.00           H  
HETATM   84  H   UNL     1      25.101  -1.223   1.071  1.00  0.00           H  
HETATM   85  H   UNL     1      24.985  -2.223  -0.398  1.00  0.00           H  
HETATM   86  H   UNL     1      26.362  -0.570  -1.631  1.00  0.00           H  
HETATM   87  H   UNL     1      26.478   0.430  -0.163  1.00  0.00           H  
HETATM   88  H   UNL     1      27.589  -1.442   1.024  1.00  0.00           H  
HETATM   89  H   UNL     1      27.474  -2.442  -0.444  1.00  0.00           H  
HETATM   90  H   UNL     1      28.851  -0.789  -1.678  1.00  0.00           H  
HETATM   91  H   UNL     1      28.966   0.211  -0.209  1.00  0.00           H  
HETATM   92  H   UNL     1      29.717  -1.403  -0.249  1.00  0.00           H  
HETATM   93  H   UNL     1      -0.878   2.134   0.211  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.806   1.131  -1.258  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.970  -0.703  -0.062  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.042   0.300   1.406  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.373   1.996   0.182  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.301   0.993  -1.287  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.464  -0.841  -0.091  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.536   0.162   1.378  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.867   1.858   0.153  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.795   0.855  -1.315  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.959  -0.979  -0.119  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.031   0.024   1.349  1.00  0.00           H  
HETATM  105  H   UNL     1      -8.362   1.721   0.125  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.290   0.717  -1.344  1.00  0.00           H  
HETATM  107  H   UNL     1      -9.453  -1.117  -0.148  1.00  0.00           H  
HETATM  108  H   UNL     1      -9.526  -0.114   1.320  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.856   1.583   0.096  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.784   0.580  -1.373  1.00  0.00           H  
HETATM  111  H   UNL     1     -11.948  -1.255  -0.177  1.00  0.00           H  
HETATM  112  H   UNL     1     -12.020  -0.252   1.292  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.351   1.445   0.067  1.00  0.00           H  
HETATM  114  H   UNL     1     -13.279   0.442  -1.401  1.00  0.00           H  
HETATM  115  H   UNL     1     -14.442  -1.393  -0.206  1.00  0.00           H  
HETATM  116  H   UNL     1     -14.514  -0.389   1.263  1.00  0.00           H  
HETATM  117  H   UNL     1     -15.845   1.307   0.039  1.00  0.00           H  
HETATM  118  H   UNL     1     -15.773   0.304  -1.430  1.00  0.00           H  
HETATM  119  H   UNL     1     -16.937  -1.531  -0.234  1.00  0.00           H  
HETATM  120  H   UNL     1     -17.009  -0.527   1.234  1.00  0.00           H  
HETATM  121  H   UNL     1     -18.340   1.169   0.010  1.00  0.00           H  
HETATM  122  H   UNL     1     -18.268   0.166  -1.459  1.00  0.00           H  
HETATM  123  H   UNL     1     -19.431  -1.668  -0.263  1.00  0.00           H  
HETATM  124  H   UNL     1     -19.503  -0.665   1.206  1.00  0.00           H  
HETATM  125  H   UNL     1     -20.834   1.031  -0.019  1.00  0.00           H  
HETATM  126  H   UNL     1     -20.762   0.028  -1.487  1.00  0.00           H  
HETATM  127  H   UNL     1     -21.926  -1.806  -0.291  1.00  0.00           H  
HETATM  128  H   UNL     1     -21.998  -0.803   1.177  1.00  0.00           H  
HETATM  129  H   UNL     1     -23.329   0.893  -0.047  1.00  0.00           H  
HETATM  130  H   UNL     1     -23.257  -0.110  -1.516  1.00  0.00           H  
HETATM  131  H   UNL     1     -24.420  -1.944  -0.320  1.00  0.00           H  
HETATM  132  H   UNL     1     -24.493  -0.941   1.148  1.00  0.00           H  
HETATM  133  H   UNL     1     -25.823   0.756  -0.076  1.00  0.00           H  
HETATM  134  H   UNL     1     -25.751  -0.248  -1.544  1.00  0.00           H  
HETATM  135  H   UNL     1     -26.915  -2.082  -0.349  1.00  0.00           H  
HETATM  136  H   UNL     1     -26.987  -1.079   1.120  1.00  0.00           H  
HETATM  137  H   UNL     1     -28.318   0.618  -0.105  1.00  0.00           H  
HETATM  138  H   UNL     1     -28.246  -0.385  -1.573  1.00  0.00           H  
HETATM  139  H   UNL     1     -29.482  -1.217   1.091  1.00  0.00           H  
HETATM  140  H   UNL     1     -30.383  -0.730  -0.364  1.00  0.00           H  
HETATM  141  H   UNL     1     -29.409  -2.220  -0.377  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   28    3    1    1                                       
CONECT    3    4    2                                                 
CONECT    4    3    5   52   53                                       
CONECT    5    4    7    6   54                                       
CONECT    6    5   55                                                 
CONECT    7    8    5   56   57                                       
CONECT    8    9    7                                                 
CONECT    9   11    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   58   59                                       
CONECT   12   13   11   60   61                                       
CONECT   13   14   12   62   63                                       
CONECT   14   13   15   64   65                                       
CONECT   15   14   16   66   67                                       
CONECT   16   17   15   68   69                                       
CONECT   17   18   16   70   71                                       
CONECT   18   19   17   72   73                                       
CONECT   19   20   18   74   75                                       
CONECT   20   21   19   76   77                                       
CONECT   21   22   20   78   79                                       
CONECT   22   23   21   80   81                                       
CONECT   23   24   22   82   83                                       
CONECT   24   25   23   84   85                                       
CONECT   25   26   24   86   87                                       
CONECT   26   27   25   88   89                                       
CONECT   27   26   90   91   92                                       
CONECT   28   29    2   93   94                                       
CONECT   29   30   28   95   96                                       
CONECT   30   31   29   97   98                                       
CONECT   31   30   32   99  100                                       
CONECT   32   31   33  101  102                                       
CONECT   33   32   34  103  104                                       
CONECT   34   33   35  105  106                                       
CONECT   35   34   36  107  108                                       
CONECT   36   35   37  109  110                                       
CONECT   37   36   38  111  112                                       
CONECT   38   37   39  113  114                                       
CONECT   39   38   40  115  116                                       
CONECT   40   39   41  117  118                                       
CONECT   41   40   42  119  120                                       
CONECT   42   43   41  121  122                                       
CONECT   43   44   42  123  124                                       
CONECT   44   45   43  125  126                                       
CONECT   45   46   44  127  128                                       
CONECT   46   47   45  129  130                                       
CONECT   47   48   46  131  132                                       
CONECT   48   49   47  133  134                                       
CONECT   49   50   48  135  136                                       
CONECT   50   51   49  137  138                                       
CONECT   51   50  139  140  141                                       
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   26                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   27                                                      
CONECT   92   27                                                      
CONECT   93   28                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   29                                                      
CONECT   97   30                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   33                                                      
CONECT  104   33                                                      
CONECT  105   34                                                      
CONECT  106   34                                                      
CONECT  107   35                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   36                                                      
CONECT  111   37                                                      
CONECT  112   37                                                      
CONECT  113   38                                                      
CONECT  114   38                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
CONECT  117   40                                                      
CONECT  118   40                                                      
CONECT  119   41                                                      
CONECT  120   41                                                      
CONECT  121   42                                                      
CONECT  122   42                                                      
CONECT  123   43                                                      
CONECT  124   43                                                      
CONECT  125   44                                                      
CONECT  126   44                                                      
CONECT  127   45                                                      
CONECT  128   45                                                      
CONECT  129   46                                                      
CONECT  130   46                                                      
CONECT  131   47                                                      
CONECT  132   47                                                      
CONECT  133   48                                                      
CONECT  134   48                                                      
CONECT  135   49                                                      
CONECT  136   49                                                      
CONECT  137   50                                                      
CONECT  138   50                                                      
CONECT  139   51                                                      
CONECT  140   51                                                      
CONECT  141   51                                                      
MASTER        0    0    0    0    0    0    0    0  141    0  141    0
END
