COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.902   2.542  15.494  1.00  0.00           C  
HETATM    2  C   UNL     1       3.236   2.385  15.834  1.00  0.00           C  
HETATM    3  C   UNL     1       4.049   1.533  15.113  1.00  0.00           C  
HETATM    4  C   UNL     1       3.539   0.820  14.032  1.00  0.00           C  
HETATM    5  O   UNL     1       4.341  -0.015  13.327  1.00  0.00           O  
HETATM    6  C   UNL     1       2.197   0.974  13.674  1.00  0.00           C  
HETATM    7  C   UNL     1       1.633   0.226  12.535  1.00  0.00           C  
HETATM    8  O   UNL     1       2.245  -0.703  12.044  1.00  0.00           O  
HETATM    9  C   UNL     1       0.320   0.623  11.994  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.116   0.151  10.759  1.00  0.00           C  
HETATM   11  O   UNL     1       0.672  -0.687  10.042  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.364   0.536  10.252  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.763  -0.010   8.905  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.405  -1.391   8.834  1.00  0.00           O  
HETATM   15  C   UNL     1      -3.267   0.132   8.689  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.662   1.584   8.984  1.00  0.00           C  
HETATM   17  O   UNL     1      -5.015   1.806   8.581  1.00  0.00           O  
HETATM   18  C   UNL     1      -2.749   2.521   8.236  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.769   2.971   8.780  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.059   2.898   6.810  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.526   1.822  10.486  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.170   1.380  10.974  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.745   1.864  12.219  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.546   2.699  12.925  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.506   1.494  12.734  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.048   1.999  14.041  1.00  0.00           C  
HETATM   27  O   UNL     1      -0.829   2.540  14.800  1.00  0.00           O  
HETATM   28  C   UNL     1       1.373   1.841  14.418  1.00  0.00           C  
HETATM   29  C   UNL     1       5.636   0.050  13.928  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.955  -1.634   7.500  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.278  -3.005   7.432  1.00  0.00           C  
HETATM   32  C   UNL     1       0.230  -3.241   6.006  1.00  0.00           C  
HETATM   33  O   UNL     1       1.274  -2.311   5.709  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.934  -3.039   5.030  1.00  0.00           C  
HETATM   35  N   UNL     1      -0.437  -3.111   3.650  1.00  0.00           N1+
HETATM   36  C   UNL     1      -1.562  -1.666   5.279  1.00  0.00           C  
HETATM   37  O   UNL     1      -2.070  -1.603   6.610  1.00  0.00           O  
HETATM   38  C   UNL     1      -0.501  -0.580   5.088  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.554  -2.919   2.716  1.00  0.00           C  
HETATM   40  C   UNL     1      -1.044  -2.993   1.300  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.743   2.498 -15.834  1.00  0.00           C  
HETATM   42  C   UNL     1      -1.985   2.361 -16.435  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.052   1.841 -15.732  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.896   1.446 -14.406  1.00  0.00           C  
HETATM   45  O   UNL     1      -3.947   0.935 -13.719  1.00  0.00           O  
HETATM   46  C   UNL     1      -1.650   1.578 -13.788  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.460   1.165 -12.384  1.00  0.00           C  
HETATM   48  O   UNL     1      -2.421   0.941 -11.673  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.091   1.026 -11.853  1.00  0.00           C  
HETATM   50  C   UNL     1       0.144   0.376 -10.646  1.00  0.00           C  
HETATM   51  O   UNL     1      -0.895  -0.136  -9.943  1.00  0.00           O  
HETATM   52  C   UNL     1       1.450   0.247 -10.151  1.00  0.00           C  
HETATM   53  C   UNL     1       1.622  -0.463  -8.833  1.00  0.00           C  
HETATM   54  O   UNL     1       0.775  -1.614  -8.804  1.00  0.00           O  
HETATM   55  C   UNL     1       3.073  -0.901  -8.644  1.00  0.00           C  
HETATM   56  C   UNL     1       3.978   0.311  -8.891  1.00  0.00           C  
HETATM   57  O   UNL     1       5.319  -0.002  -8.510  1.00  0.00           O  
HETATM   58  C   UNL     1       3.484   1.486  -8.088  1.00  0.00           C  
HETATM   59  O   UNL     1       2.749   2.299  -8.596  1.00  0.00           O  
HETATM   60  C   UNL     1       3.906   1.647  -6.650  1.00  0.00           C  
HETATM   61  C   UNL     1       3.932   0.648 -10.380  1.00  0.00           C  
HETATM   62  C   UNL     1       2.507   0.762 -10.856  1.00  0.00           C  
HETATM   63  C   UNL     1       2.286   1.423 -12.073  1.00  0.00           C  
HETATM   64  O   UNL     1       3.336   1.932 -12.763  1.00  0.00           O  
HETATM   65  C   UNL     1       0.995   1.559 -12.577  1.00  0.00           C  
HETATM   66  C   UNL     1       0.752   2.251 -13.856  1.00  0.00           C  
HETATM   67  O   UNL     1       1.623   2.928 -14.366  1.00  0.00           O  
HETATM   68  C   UNL     1      -0.566   2.110 -14.512  1.00  0.00           C  
HETATM   69  C   UNL     1      -5.062   0.928 -14.613  1.00  0.00           C  
HETATM   70  C   UNL     1       0.266  -1.718  -7.473  1.00  0.00           C  
HETATM   71  C   UNL     1      -0.820  -2.795  -7.428  1.00  0.00           C  
HETATM   72  C   UNL     1      -1.382  -2.877  -6.004  1.00  0.00           C  
HETATM   73  O   UNL     1      -2.067  -1.665  -5.685  1.00  0.00           O  
HETATM   74  C   UNL     1      -0.218  -3.082  -5.028  1.00  0.00           C  
HETATM   75  N   UNL     1      -0.716  -3.010  -3.648  1.00  0.00           N1+
HETATM   76  C   UNL     1       0.823  -1.985  -5.254  1.00  0.00           C  
HETATM   77  O   UNL     1       1.327  -2.065  -6.586  1.00  0.00           O  
HETATM   78  C   UNL     1       0.171  -0.618  -5.038  1.00  0.00           C  
HETATM   79  C   UNL     1       0.401  -3.202  -2.713  1.00  0.00           C  
HETATM   80  C   UNL     1      -0.109  -3.128  -1.298  1.00  0.00           C  
HETATM   81  C   UNL     1      -1.007  -4.207   0.641  1.00  0.00           C  
HETATM   82  C   UNL     1      -0.619  -1.845   0.657  1.00  0.00           C  
HETATM   83  C   UNL     1      -0.539  -4.275  -0.657  1.00  0.00           C  
HETATM   84  C   UNL     1      -0.148  -1.913  -0.639  1.00  0.00           C  
HETATM   85  H   UNL     1       1.274   3.210  16.065  1.00  0.00           H  
HETATM   86  H   UNL     1       3.644   2.932  16.671  1.00  0.00           H  
HETATM   87  H   UNL     1       5.087   1.420  15.390  1.00  0.00           H  
HETATM   88  H   UNL     1       1.281  -0.133   9.535  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.234   0.537   8.125  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.800  -0.537   9.364  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.515  -0.113   7.656  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.225   2.724   8.802  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.293   3.578   6.440  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.077   1.999   6.193  1.00  0.00           H  
HETATM   95  H   UNL     1      -4.032   3.387   6.767  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.297   1.257  11.010  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.655   2.884  10.695  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.320   3.600  12.654  1.00  0.00           H  
HETATM   99  H   UNL     1       6.319  -0.608  13.393  1.00  0.00           H  
HETATM  100  H   UNL     1       6.007   1.074  13.881  1.00  0.00           H  
HETATM  101  H   UNL     1       5.570  -0.263  14.970  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.241  -0.862   7.212  1.00  0.00           H  
HETATM  103  H   UNL     1       0.560  -3.031   8.128  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.997  -3.780   7.696  1.00  0.00           H  
HETATM  105  H   UNL     1       0.610  -4.258   5.917  1.00  0.00           H  
HETATM  106  H   UNL     1       1.978  -2.466   6.354  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.681  -3.816   5.189  1.00  0.00           H  
HETATM  108  H   UNL     1       0.252  -2.390   3.502  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.017  -4.015   3.490  1.00  0.00           H  
HETATM  110  H   UNL     1      -2.376  -1.506   4.572  1.00  0.00           H  
HETATM  111  H   UNL     1      -0.123  -0.618   4.066  1.00  0.00           H  
HETATM  112  H   UNL     1      -0.945   0.397   5.275  1.00  0.00           H  
HETATM  113  H   UNL     1       0.319  -0.746   5.786  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.299  -3.698   2.875  1.00  0.00           H  
HETATM  115  H   UNL     1      -2.007  -1.942   2.888  1.00  0.00           H  
HETATM  116  H   UNL     1       0.084   2.907 -16.393  1.00  0.00           H  
HETATM  117  H   UNL     1      -2.118   2.664 -17.463  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.014   1.740 -16.212  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.984  -1.062 -10.210  1.00  0.00           H  
HETATM  120  H   UNL     1       1.342   0.209  -8.022  1.00  0.00           H  
HETATM  121  H   UNL     1       3.217  -1.266  -7.627  1.00  0.00           H  
HETATM  122  H   UNL     1       3.314  -1.690  -9.356  1.00  0.00           H  
HETATM  123  H   UNL     1       5.851   0.786  -8.682  1.00  0.00           H  
HETATM  124  H   UNL     1       3.452   2.548  -6.237  1.00  0.00           H  
HETATM  125  H   UNL     1       3.580   0.780  -6.076  1.00  0.00           H  
HETATM  126  H   UNL     1       4.992   1.731  -6.598  1.00  0.00           H  
HETATM  127  H   UNL     1       4.444   1.596 -10.549  1.00  0.00           H  
HETATM  128  H   UNL     1       4.437  -0.136 -10.942  1.00  0.00           H  
HETATM  129  H   UNL     1       3.644   1.235 -13.358  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.935   0.524 -14.103  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.271   1.947 -14.940  1.00  0.00           H  
HETATM  132  H   UNL     1      -4.828   0.310 -15.480  1.00  0.00           H  
HETATM  133  H   UNL     1      -0.159  -0.761  -7.172  1.00  0.00           H  
HETATM  134  H   UNL     1      -0.391  -3.758  -7.706  1.00  0.00           H  
HETATM  135  H   UNL     1      -1.619  -2.536  -8.121  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.073  -3.718  -5.931  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.790  -1.576  -6.322  1.00  0.00           H  
HETATM  138  H   UNL     1       0.235  -4.058  -5.201  1.00  0.00           H  
HETATM  139  H   UNL     1      -1.405  -3.732  -3.500  1.00  0.00           H  
HETATM  140  H   UNL     1      -1.136  -2.107  -3.488  1.00  0.00           H  
HETATM  141  H   UNL     1       1.644  -2.111  -4.548  1.00  0.00           H  
HETATM  142  H   UNL     1      -0.652  -0.493  -5.741  1.00  0.00           H  
HETATM  143  H   UNL     1      -0.206  -0.553  -4.018  1.00  0.00           H  
HETATM  144  H   UNL     1       0.910   0.166  -5.202  1.00  0.00           H  
HETATM  145  H   UNL     1       1.145  -2.422  -2.872  1.00  0.00           H  
HETATM  146  H   UNL     1       0.854  -4.178  -2.886  1.00  0.00           H  
HETATM  147  H   UNL     1      -1.343  -5.104   1.142  1.00  0.00           H  
HETATM  148  H   UNL     1      -0.650  -0.895   1.171  1.00  0.00           H  
HETATM  149  H   UNL     1      -0.509  -5.224  -1.171  1.00  0.00           H  
HETATM  150  H   UNL     1       0.187  -1.017  -1.140  1.00  0.00           H  
CONECT    1    2    2   28   85                                       
CONECT    2    1    1    3   86                                       
CONECT    3    2    4    4   87                                       
CONECT    4    3    3    5    6                                       
CONECT    5    4   29                                                 
CONECT    6    4    7   28   28                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   25   25                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   88                                                 
CONECT   12   10   10   13   22                                       
CONECT   13   12   14   15   89                                       
CONECT   14   13   30                                                 
CONECT   15   13   16   90   91                                       
CONECT   16   15   17   18   21                                       
CONECT   17   16   92                                                 
CONECT   18   16   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   93   94   95                                       
CONECT   21   16   22   96   97                                       
CONECT   22   12   21   23   23                                       
CONECT   23   22   22   24   25                                       
CONECT   24   23   98                                                 
CONECT   25    9    9   23   26                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28    1    6    6   26                                       
CONECT   29    5   99  100  101                                       
CONECT   30   14   31   37  102                                       
CONECT   31   30   32  103  104                                       
CONECT   32   31   33   34  105                                       
CONECT   33   32  106                                                 
CONECT   34   32   35   36  107                                       
CONECT   35   34   39  108  109                                       
CONECT   36   34   37   38  110                                       
CONECT   37   30   36                                                 
CONECT   38   36  111  112  113                                       
CONECT   39   35   40  114  115                                       
CONECT   40   39   81   81   82                                       
CONECT   41   42   42   68  116                                       
CONECT   42   41   41   43  117                                       
CONECT   43   42   44   44  118                                       
CONECT   44   43   43   45   46                                       
CONECT   45   44   69                                                 
CONECT   46   44   47   68   68                                       
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50   65   65                                       
CONECT   50   49   51   52   52                                       
CONECT   51   50  119                                                 
CONECT   52   50   50   53   62                                       
CONECT   53   52   54   55  120                                       
CONECT   54   53   70                                                 
CONECT   55   53   56  121  122                                       
CONECT   56   55   57   58   61                                       
CONECT   57   56  123                                                 
CONECT   58   56   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58  124  125  126                                       
CONECT   61   56   62  127  128                                       
CONECT   62   52   61   63   63                                       
CONECT   63   62   62   64   65                                       
CONECT   64   63  129                                                 
CONECT   65   49   49   63   66                                       
CONECT   66   65   67   67   68                                       
CONECT   67   66   66                                                 
CONECT   68   41   46   46   66                                       
CONECT   69   45  130  131  132                                       
CONECT   70   54   71   77  133                                       
CONECT   71   70   72  134  135                                       
CONECT   72   71   73   74  136                                       
CONECT   73   72  137                                                 
CONECT   74   72   75   76  138                                       
CONECT   75   74   79  139  140                                       
CONECT   76   74   77   78  141                                       
CONECT   77   70   76                                                 
CONECT   78   76  142  143  144                                       
CONECT   79   75   80  145  146                                       
CONECT   80   79   83   83   84                                       
CONECT   81   40   40   83  147                                       
CONECT   82   40   84   84  148                                       
CONECT   83   80   80   81  149                                       
CONECT   84   80   82   82  150                                       
CONECT   85    1                                                      
CONECT   86    2                                                      
CONECT   87    3                                                      
CONECT   88   11                                                      
CONECT   89   13                                                      
CONECT   90   15                                                      
CONECT   91   15                                                      
CONECT   92   17                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   20                                                      
CONECT   96   21                                                      
CONECT   97   21                                                      
CONECT   98   24                                                      
CONECT   99   29                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   31                                                      
CONECT  105   32                                                      
CONECT  106   33                                                      
CONECT  107   34                                                      
CONECT  108   35                                                      
CONECT  109   35                                                      
CONECT  110   36                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   43                                                      
CONECT  119   51                                                      
CONECT  120   53                                                      
CONECT  121   55                                                      
CONECT  122   55                                                      
CONECT  123   57                                                      
CONECT  124   60                                                      
CONECT  125   60                                                      
CONECT  126   60                                                      
CONECT  127   61                                                      
CONECT  128   61                                                      
CONECT  129   64                                                      
CONECT  130   69                                                      
CONECT  131   69                                                      
CONECT  132   69                                                      
CONECT  133   70                                                      
CONECT  134   71                                                      
CONECT  135   71                                                      
CONECT  136   72                                                      
CONECT  137   73                                                      
CONECT  138   74                                                      
CONECT  139   75                                                      
CONECT  140   75                                                      
CONECT  141   76                                                      
CONECT  142   78                                                      
CONECT  143   78                                                      
CONECT  144   78                                                      
CONECT  145   79                                                      
CONECT  146   79                                                      
CONECT  147   81                                                      
CONECT  148   82                                                      
CONECT  149   83                                                      
CONECT  150   84                                                      
MASTER        0    0    0    0    0    0    0    0  150    0  150    0
END
