COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.137   4.962   1.917  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.260   3.446   1.750  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.322   2.990   0.721  1.00  0.00           N  
HETATM    4  C   UNL     1      -3.688   3.093   1.331  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.612   3.648   2.269  1.00  0.00           O  
HETATM    6  C   UNL     1      -3.849   1.572   1.297  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.926   1.016   0.359  1.00  0.00           O  
HETATM    8  C   UNL     1      -5.277   1.219   0.877  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.475  -0.296   0.964  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.903  -0.649   0.544  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.101  -2.164   0.631  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.529  -2.516   0.211  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.727  -4.031   0.298  1.00  0.00           C  
HETATM   14  C   UNL     1     -10.155  -4.384  -0.122  1.00  0.00           C  
HETATM   15  C   UNL     1     -10.352  -5.899  -0.036  1.00  0.00           C  
HETATM   16  C   UNL     1     -11.781  -6.252  -0.455  1.00  0.00           C  
HETATM   17  C   UNL     1     -11.978  -7.766  -0.369  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.407  -8.119  -0.789  1.00  0.00           C  
HETATM   19  C   UNL     1     -13.604  -9.634  -0.702  1.00  0.00           C  
HETATM   20  C   UNL     1     -15.033  -9.987  -1.122  1.00  0.00           C  
HETATM   21  C   UNL     1     -15.230 -11.502  -1.035  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.464   7.034   0.758  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.542   5.608   0.709  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.147   7.626  -0.477  1.00  0.00           C  
HETATM   25  O   UNL     1      -4.503   7.178  -0.534  1.00  0.00           O  
HETATM   26  C   UNL     1      -2.402   7.163  -1.733  1.00  0.00           C  
HETATM   27  O   UNL     1      -2.988   7.770  -2.887  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.933   7.582  -1.625  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.212   7.093  -2.758  1.00  0.00           O  
HETATM   30  O   UNL     1       1.709   6.812   0.932  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.335   6.992  -0.345  1.00  0.00           C  
HETATM   32  C   UNL     1       1.116   7.455  -0.198  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.093   7.437   0.782  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.042   2.720   1.048  1.00  0.00           C  
HETATM   35  O   UNL     1       0.333   2.855   2.193  1.00  0.00           O  
HETATM   36  C   UNL     1       0.922   2.252  -0.011  1.00  0.00           C  
HETATM   37  C   UNL     1       2.297   2.019   0.619  1.00  0.00           C  
HETATM   38  C   UNL     1       3.277   1.543  -0.455  1.00  0.00           C  
HETATM   39  C   UNL     1       4.651   1.311   0.175  1.00  0.00           C  
HETATM   40  C   UNL     1       5.631   0.835  -0.900  1.00  0.00           C  
HETATM   41  C   UNL     1       7.006   0.602  -0.270  1.00  0.00           C  
HETATM   42  C   UNL     1       7.985   0.126  -1.345  1.00  0.00           C  
HETATM   43  C   UNL     1       9.360  -0.106  -0.715  1.00  0.00           C  
HETATM   44  C   UNL     1      10.340  -0.582  -1.789  1.00  0.00           C  
HETATM   45  C   UNL     1      11.694  -0.811  -1.169  1.00  0.00           C  
HETATM   46  C   UNL     1      12.286  -1.972  -1.299  1.00  0.00           C  
HETATM   47  C   UNL     1      13.640  -2.202  -0.679  1.00  0.00           C  
HETATM   48  C   UNL     1      13.583  -3.411   0.219  1.00  0.00           C  
HETATM   49  C   UNL     1      14.424  -4.400   0.040  1.00  0.00           C  
HETATM   50  C   UNL     1      14.367  -5.609   0.937  1.00  0.00           C  
HETATM   51  C   UNL     1      14.216  -6.870   0.085  1.00  0.00           C  
HETATM   52  C   UNL     1      14.158  -8.098   0.996  1.00  0.00           C  
HETATM   53  C   UNL     1      14.007  -9.359   0.143  1.00  0.00           C  
HETATM   54  C   UNL     1      13.949 -10.587   1.054  1.00  0.00           C  
HETATM   55  H   UNL     1      -2.777   5.290   2.737  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.102   5.220   2.139  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.028   2.956   2.696  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.622   2.882  -0.195  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.887   3.501   0.340  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.446   3.388   3.186  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.650   1.163   2.288  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.044   1.335  -0.546  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.984   1.716   1.542  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.447   1.549  -0.147  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.768  -0.793   0.300  1.00  0.00           H  
HETATM   66  H   UNL     1      -5.305  -0.627   1.989  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.610  -0.152   1.208  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.073  -0.318  -0.480  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.394  -2.661  -0.033  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.931  -2.494   1.655  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.236  -2.019   0.875  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.699  -2.186  -0.814  1.00  0.00           H  
HETATM   73  H   UNL     1      -8.019  -4.528  -0.366  1.00  0.00           H  
HETATM   74  H   UNL     1      -8.557  -4.362   1.322  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.862  -3.887   0.542  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.325  -4.053  -1.147  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.645  -6.396  -0.700  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.183  -6.229   0.989  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.488  -5.754   0.209  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.951  -5.921  -1.480  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.271  -8.264  -1.033  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.809  -8.097   0.656  1.00  0.00           H  
HETATM   83  H   UNL     1     -14.114  -7.622  -0.124  1.00  0.00           H  
HETATM   84  H   UNL     1     -13.577  -7.789  -1.813  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.897 -10.131  -1.366  1.00  0.00           H  
HETATM   86  H   UNL     1     -13.434  -9.965   0.323  1.00  0.00           H  
HETATM   87  H   UNL     1     -15.740  -9.490  -0.458  1.00  0.00           H  
HETATM   88  H   UNL     1     -15.203  -9.656  -2.146  1.00  0.00           H  
HETATM   89  H   UNL     1     -15.060 -11.832  -0.011  1.00  0.00           H  
HETATM   90  H   UNL     1     -16.248 -11.753  -1.334  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.523 -11.999  -1.699  1.00  0.00           H  
HETATM   92  H   UNL     1      -2.965   7.394   1.658  1.00  0.00           H  
HETATM   93  H   UNL     1      -3.125   8.714  -0.420  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.034   7.431   0.233  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.469   6.079  -1.818  1.00  0.00           H  
HETATM   96  H   UNL     1      -3.922   7.553  -3.014  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.865   8.669  -1.592  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.540   7.423  -3.605  1.00  0.00           H  
HETATM   99  H   UNL     1       2.631   7.059   1.086  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.366   5.904  -0.397  1.00  0.00           H  
HETATM  101  H   UNL     1       1.140   8.535  -0.056  1.00  0.00           H  
HETATM  102  H   UNL     1       1.673   7.194  -1.098  1.00  0.00           H  
HETATM  103  H   UNL     1       0.560   1.321  -0.446  1.00  0.00           H  
HETATM  104  H   UNL     1       1.003   3.010  -0.790  1.00  0.00           H  
HETATM  105  H   UNL     1       2.660   2.950   1.055  1.00  0.00           H  
HETATM  106  H   UNL     1       2.216   1.261   1.398  1.00  0.00           H  
HETATM  107  H   UNL     1       2.914   0.612  -0.891  1.00  0.00           H  
HETATM  108  H   UNL     1       3.358   2.301  -1.235  1.00  0.00           H  
HETATM  109  H   UNL     1       5.014   2.242   0.610  1.00  0.00           H  
HETATM  110  H   UNL     1       4.570   0.553   0.954  1.00  0.00           H  
HETATM  111  H   UNL     1       5.269  -0.096  -1.335  1.00  0.00           H  
HETATM  112  H   UNL     1       5.712   1.593  -1.679  1.00  0.00           H  
HETATM  113  H   UNL     1       7.368   1.533   0.165  1.00  0.00           H  
HETATM  114  H   UNL     1       6.925  -0.156   0.509  1.00  0.00           H  
HETATM  115  H   UNL     1       7.623  -0.805  -1.780  1.00  0.00           H  
HETATM  116  H   UNL     1       8.066   0.884  -2.124  1.00  0.00           H  
HETATM  117  H   UNL     1       9.722   0.825  -0.279  1.00  0.00           H  
HETATM  118  H   UNL     1       9.279  -0.864   0.064  1.00  0.00           H  
HETATM  119  H   UNL     1       9.977  -1.513  -2.225  1.00  0.00           H  
HETATM  120  H   UNL     1      10.421   0.176  -2.569  1.00  0.00           H  
HETATM  121  H   UNL     1      12.176  -0.018  -0.617  1.00  0.00           H  
HETATM  122  H   UNL     1      11.804  -2.766  -1.851  1.00  0.00           H  
HETATM  123  H   UNL     1      14.377  -2.367  -1.465  1.00  0.00           H  
HETATM  124  H   UNL     1      13.924  -1.327  -0.093  1.00  0.00           H  
HETATM  125  H   UNL     1      12.849  -3.462   1.010  1.00  0.00           H  
HETATM  126  H   UNL     1      15.157  -4.348  -0.751  1.00  0.00           H  
HETATM  127  H   UNL     1      15.286  -5.672   1.520  1.00  0.00           H  
HETATM  128  H   UNL     1      13.514  -5.522   1.611  1.00  0.00           H  
HETATM  129  H   UNL     1      13.297  -6.807  -0.498  1.00  0.00           H  
HETATM  130  H   UNL     1      15.068  -6.957  -0.589  1.00  0.00           H  
HETATM  131  H   UNL     1      15.077  -8.161   1.579  1.00  0.00           H  
HETATM  132  H   UNL     1      13.306  -8.010   1.669  1.00  0.00           H  
HETATM  133  H   UNL     1      13.088  -9.296  -0.440  1.00  0.00           H  
HETATM  134  H   UNL     1      14.859  -9.447  -0.531  1.00  0.00           H  
HETATM  135  H   UNL     1      13.841 -11.486   0.447  1.00  0.00           H  
HETATM  136  H   UNL     1      14.868 -10.650   1.637  1.00  0.00           H  
HETATM  137  H   UNL     1      13.097 -10.500   1.728  1.00  0.00           H  
CONECT    1    2   23   55   56                                       
CONECT    2    1    3    4   57                                       
CONECT    3    2   34   58                                            
CONECT    4    2    5    6   59                                       
CONECT    5    4   60                                                 
CONECT    6    4    7    8   61                                       
CONECT    7    6   62                                                 
CONECT    8    6    9   63   64                                       
CONECT    9    8   10   65   66                                       
CONECT   10    9   11   67   68                                       
CONECT   11   10   12   69   70                                       
CONECT   12   11   13   71   72                                       
CONECT   13   12   14   73   74                                       
CONECT   14   13   15   75   76                                       
CONECT   15   14   16   77   78                                       
CONECT   16   15   17   79   80                                       
CONECT   17   16   18   81   82                                       
CONECT   18   17   19   83   84                                       
CONECT   19   18   20   85   86                                       
CONECT   20   19   21   87   88                                       
CONECT   21   20   89   90   91                                       
CONECT   22   23   24   33   92                                       
CONECT   23    1   22                                                 
CONECT   24   22   25   26   93                                       
CONECT   25   24   94                                                 
CONECT   26   24   27   28   95                                       
CONECT   27   26   96                                                 
CONECT   28   26   29   31   97                                       
CONECT   29   28   98                                                 
CONECT   30   32   99                                                 
CONECT   31   28   32   33  100                                       
CONECT   32   30   31  101  102                                       
CONECT   33   22   31                                                 
CONECT   34    3   35   35   36                                       
CONECT   35   34   34                                                 
CONECT   36   34   37  103  104                                       
CONECT   37   36   38  105  106                                       
CONECT   38   37   39  107  108                                       
CONECT   39   38   40  109  110                                       
CONECT   40   39   41  111  112                                       
CONECT   41   40   42  113  114                                       
CONECT   42   41   43  115  116                                       
CONECT   43   42   44  117  118                                       
CONECT   44   43   45  119  120                                       
CONECT   45   44   46   46  121                                       
CONECT   46   45   45   47  122                                       
CONECT   47   46   48  123  124                                       
CONECT   48   47   49   49  125                                       
CONECT   49   48   48   50  126                                       
CONECT   50   49   51  127  128                                       
CONECT   51   50   52  129  130                                       
CONECT   52   51   53  131  132                                       
CONECT   53   52   54  133  134                                       
CONECT   54   53  135  136  137                                       
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    5                                                      
CONECT   61    6                                                      
CONECT   62    7                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   10                                                      
CONECT   69   11                                                      
CONECT   70   11                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   18                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   19                                                      
CONECT   87   20                                                      
CONECT   88   20                                                      
CONECT   89   21                                                      
CONECT   90   21                                                      
CONECT   91   21                                                      
CONECT   92   22                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   28                                                      
CONECT   98   29                                                      
CONECT   99   30                                                      
CONECT  100   31                                                      
CONECT  101   32                                                      
CONECT  102   32                                                      
CONECT  103   36                                                      
CONECT  104   36                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   38                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   40                                                      
CONECT  113   41                                                      
CONECT  114   41                                                      
CONECT  115   42                                                      
CONECT  116   42                                                      
CONECT  117   43                                                      
CONECT  118   43                                                      
CONECT  119   44                                                      
CONECT  120   44                                                      
CONECT  121   45                                                      
CONECT  122   46                                                      
CONECT  123   47                                                      
CONECT  124   47                                                      
CONECT  125   48                                                      
CONECT  126   49                                                      
CONECT  127   50                                                      
CONECT  128   50                                                      
CONECT  129   51                                                      
CONECT  130   51                                                      
CONECT  131   52                                                      
CONECT  132   52                                                      
CONECT  133   53                                                      
CONECT  134   53                                                      
CONECT  135   54                                                      
CONECT  136   54                                                      
CONECT  137   54                                                      
MASTER        0    0    0    0    0    0    0    0  137    0  137    0
END
