COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.842   3.287  -5.368  1.00  0.00           C  
HETATM    2  C   UNL     1      18.697   2.552  -4.667  1.00  0.00           C  
HETATM    3  C   UNL     1      18.449   3.186  -3.297  1.00  0.00           C  
HETATM    4  C   UNL     1      11.905   2.992   2.310  1.00  0.00           C  
HETATM    5  C   UNL     1      10.783   2.325   3.108  1.00  0.00           C  
HETATM    6  C   UNL     1       9.601   2.035   2.181  1.00  0.00           C  
HETATM    7  C   UNL     1       8.479   1.368   2.980  1.00  0.00           C  
HETATM    8  C   UNL     1       7.297   1.078   2.053  1.00  0.00           C  
HETATM    9  C   UNL     1       0.384  -1.794   1.667  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.721  -2.451   2.453  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.886  -3.426   2.661  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.107  -3.748   1.797  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.675  -4.598   0.601  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.144  -5.881  -1.045  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.909  -3.458  -2.039  1.00  0.00           O  
HETATM   16  C   UNL     1      -0.211  -3.658  -3.270  1.00  0.00           C  
HETATM   17  C   UNL     1       0.682  -2.448  -3.553  1.00  0.00           C  
HETATM   18  C   UNL     1       1.301  -2.491  -1.236  1.00  0.00           C  
HETATM   19  C   UNL     1       2.662  -3.613  -2.862  1.00  0.00           C  
HETATM   20  C   UNL     1       2.597  -1.216  -2.800  1.00  0.00           C  
HETATM   21  C   UNL     1      13.070   3.278   3.223  1.00  0.00           C  
HETATM   22  C   UNL     1       6.175   0.411   2.851  1.00  0.00           C  
HETATM   23  C   UNL     1       4.992   0.121   1.924  1.00  0.00           C  
HETATM   24  C   UNL     1       3.870  -0.546   2.722  1.00  0.00           C  
HETATM   25  C   UNL     1       2.688  -0.836   1.795  1.00  0.00           C  
HETATM   26  C   UNL     1       1.566  -1.503   2.594  1.00  0.00           C  
HETATM   27  C   UNL     1      17.304   2.451  -2.596  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.028  -2.517   1.107  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.716  -1.270   0.614  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.213  -1.544   0.454  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.911  -0.278  -0.047  1.00  0.00           C  
HETATM   32  C   UNL     1     -10.408  -0.552  -0.207  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.107   0.714  -0.708  1.00  0.00           C  
HETATM   34  C   UNL     1     -12.604   0.440  -0.868  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.303   1.706  -1.369  1.00  0.00           C  
HETATM   36  C   UNL     1     -14.777   1.437  -1.527  1.00  0.00           C  
HETATM   37  C   UNL     1      17.055   3.085  -1.225  1.00  0.00           C  
HETATM   38  C   UNL     1     -15.652   2.226  -0.955  1.00  0.00           C  
HETATM   39  C   UNL     1     -15.196   3.494  -0.281  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.997   4.679  -0.826  1.00  0.00           C  
HETATM   41  C   UNL     1     -15.533   5.966  -0.141  1.00  0.00           C  
HETATM   42  C   UNL     1     -16.334   7.150  -0.686  1.00  0.00           C  
HETATM   43  C   UNL     1     -15.871   8.438  -0.002  1.00  0.00           C  
HETATM   44  C   UNL     1     -16.672   9.622  -0.547  1.00  0.00           C  
HETATM   45  C   UNL     1      15.911   2.351  -0.524  1.00  0.00           C  
HETATM   46  C   UNL     1      15.662   2.984   0.846  1.00  0.00           C  
HETATM   47  C   UNL     1      14.517   2.250   1.547  1.00  0.00           C  
HETATM   48  C   UNL     1      14.273   2.874   2.897  1.00  0.00           C  
HETATM   49  N   UNL     1       1.811  -2.442  -2.613  1.00  0.00           N1+
HETATM   50  O   UNL     1      -0.578  -2.665   3.633  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.865  -2.798   1.842  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.634  -3.926  -0.111  1.00  0.00           O  
HETATM   53  O   UNL     1      -2.979  -4.846  -2.436  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.702  -2.512   1.322  1.00  0.00           O  
HETATM   55  O   UNL     1      -6.668  -3.521   1.310  1.00  0.00           O  
HETATM   56  P   UNL     1      -1.939  -4.535  -1.430  1.00  0.00           P  
HETATM   57  H   UNL     1      19.576   4.336  -5.496  1.00  0.00           H  
HETATM   58  H   UNL     1      20.746   3.212  -4.764  1.00  0.00           H  
HETATM   59  H   UNL     1      20.019   2.835  -6.345  1.00  0.00           H  
HETATM   60  H   UNL     1      17.793   2.627  -5.272  1.00  0.00           H  
HETATM   61  H   UNL     1      18.963   1.503  -4.540  1.00  0.00           H  
HETATM   62  H   UNL     1      19.353   3.111  -2.693  1.00  0.00           H  
HETATM   63  H   UNL     1      18.183   4.235  -3.424  1.00  0.00           H  
HETATM   64  H   UNL     1      12.227   2.326   1.509  1.00  0.00           H  
HETATM   65  H   UNL     1      11.541   3.926   1.882  1.00  0.00           H  
HETATM   66  H   UNL     1      11.147   1.391   3.536  1.00  0.00           H  
HETATM   67  H   UNL     1      10.462   2.991   3.909  1.00  0.00           H  
HETATM   68  H   UNL     1       9.237   2.969   1.754  1.00  0.00           H  
HETATM   69  H   UNL     1       9.922   1.369   1.380  1.00  0.00           H  
HETATM   70  H   UNL     1       8.843   0.434   3.407  1.00  0.00           H  
HETATM   71  H   UNL     1       8.158   2.033   3.781  1.00  0.00           H  
HETATM   72  H   UNL     1       6.933   2.012   1.625  1.00  0.00           H  
HETATM   73  H   UNL     1       7.618   0.412   1.252  1.00  0.00           H  
HETATM   74  H   UNL     1       0.705  -2.459   0.866  1.00  0.00           H  
HETATM   75  H   UNL     1       0.020  -0.859   1.239  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.177  -2.748   3.463  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.491  -4.348   3.090  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.837  -4.299   2.390  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.310  -5.563   0.953  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.527  -4.753  -0.062  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.446  -5.751  -0.389  1.00  0.00           H  
HETATM   82  H   UNL     1       0.405  -4.555  -3.197  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.930  -3.777  -4.080  1.00  0.00           H  
HETATM   84  H   UNL     1       1.059  -2.506  -4.574  1.00  0.00           H  
HETATM   85  H   UNL     1       0.102  -1.533  -3.431  1.00  0.00           H  
HETATM   86  H   UNL     1       2.117  -2.296  -0.540  1.00  0.00           H  
HETATM   87  H   UNL     1       0.526  -1.736  -1.108  1.00  0.00           H  
HETATM   88  H   UNL     1       0.883  -3.478  -1.038  1.00  0.00           H  
HETATM   89  H   UNL     1       3.500  -3.608  -2.165  1.00  0.00           H  
HETATM   90  H   UNL     1       2.078  -4.523  -2.723  1.00  0.00           H  
HETATM   91  H   UNL     1       3.040  -3.576  -3.884  1.00  0.00           H  
HETATM   92  H   UNL     1       2.975  -1.179  -3.822  1.00  0.00           H  
HETATM   93  H   UNL     1       1.965  -0.347  -2.615  1.00  0.00           H  
HETATM   94  H   UNL     1       3.435  -1.211  -2.103  1.00  0.00           H  
HETATM   95  H   UNL     1      12.913   3.816   4.146  1.00  0.00           H  
HETATM   96  H   UNL     1       6.539  -0.523   3.279  1.00  0.00           H  
HETATM   97  H   UNL     1       5.853   1.076   3.652  1.00  0.00           H  
HETATM   98  H   UNL     1       4.628   1.055   1.496  1.00  0.00           H  
HETATM   99  H   UNL     1       5.314  -0.545   1.123  1.00  0.00           H  
HETATM  100  H   UNL     1       4.234  -1.480   3.150  1.00  0.00           H  
HETATM  101  H   UNL     1       3.549   0.119   3.523  1.00  0.00           H  
HETATM  102  H   UNL     1       2.324   0.098   1.368  1.00  0.00           H  
HETATM  103  H   UNL     1       3.009  -1.502   0.994  1.00  0.00           H  
HETATM  104  H   UNL     1       1.245  -0.838   3.395  1.00  0.00           H  
HETATM  105  H   UNL     1       1.930  -2.438   3.021  1.00  0.00           H  
HETATM  106  H   UNL     1      16.400   2.526  -3.200  1.00  0.00           H  
HETATM  107  H   UNL     1      17.570   1.402  -2.468  1.00  0.00           H  
HETATM  108  H   UNL     1      -6.569  -0.465   1.334  1.00  0.00           H  
HETATM  109  H   UNL     1      -6.294  -0.979  -0.348  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.360  -2.349  -0.266  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.634  -1.835   1.416  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.764   0.527   0.673  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.490   0.013  -1.009  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.555  -1.357  -0.927  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.830  -0.843   0.755  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.960   1.519   0.012  1.00  0.00           H  
HETATM  117  H   UNL     1     -10.686   1.005  -1.670  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.751  -0.365  -1.588  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.025   0.149   0.094  1.00  0.00           H  
HETATM  120  H   UNL     1     -13.156   2.511  -0.649  1.00  0.00           H  
HETATM  121  H   UNL     1     -12.882   1.997  -2.331  1.00  0.00           H  
HETATM  122  H   UNL     1     -15.112   0.593  -2.112  1.00  0.00           H  
HETATM  123  H   UNL     1      17.959   3.010  -0.621  1.00  0.00           H  
HETATM  124  H   UNL     1      16.790   4.134  -1.353  1.00  0.00           H  
HETATM  125  H   UNL     1     -16.701   1.969  -0.967  1.00  0.00           H  
HETATM  126  H   UNL     1     -15.355   3.412   0.794  1.00  0.00           H  
HETATM  127  H   UNL     1     -14.135   3.650  -0.481  1.00  0.00           H  
HETATM  128  H   UNL     1     -15.838   4.761  -1.901  1.00  0.00           H  
HETATM  129  H   UNL     1     -17.057   4.523  -0.627  1.00  0.00           H  
HETATM  130  H   UNL     1     -15.692   5.884   0.934  1.00  0.00           H  
HETATM  131  H   UNL     1     -14.473   6.122  -0.341  1.00  0.00           H  
HETATM  132  H   UNL     1     -16.175   7.233  -1.761  1.00  0.00           H  
HETATM  133  H   UNL     1     -17.394   6.994  -0.487  1.00  0.00           H  
HETATM  134  H   UNL     1     -16.030   8.355   1.073  1.00  0.00           H  
HETATM  135  H   UNL     1     -14.810   8.594  -0.201  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.341  10.539  -0.059  1.00  0.00           H  
HETATM  137  H   UNL     1     -16.513   9.704  -1.622  1.00  0.00           H  
HETATM  138  H   UNL     1     -17.732   9.466  -0.347  1.00  0.00           H  
HETATM  139  H   UNL     1      15.007   2.425  -1.129  1.00  0.00           H  
HETATM  140  H   UNL     1      16.177   1.301  -0.397  1.00  0.00           H  
HETATM  141  H   UNL     1      16.566   2.909   1.450  1.00  0.00           H  
HETATM  142  H   UNL     1      15.396   4.033   0.718  1.00  0.00           H  
HETATM  143  H   UNL     1      13.613   2.325   0.943  1.00  0.00           H  
HETATM  144  H   UNL     1      14.783   1.200   1.675  1.00  0.00           H  
HETATM  145  H   UNL     1      15.088   2.987   3.595  1.00  0.00           H  
CONECT    1    2   57   58   59                                       
CONECT    2    1    3   60   61                                       
CONECT    3    2   27   62   63                                       
CONECT    4    5   21   64   65                                       
CONECT    5    6    4   66   67                                       
CONECT    6    7    5   68   69                                       
CONECT    7    8    6   70   71                                       
CONECT    8   22    7   72   73                                       
CONECT    9   10   26   74   75                                       
CONECT   10   51   50   50    9                                       
CONECT   11   12   51   76   77                                       
CONECT   12   13   54   11   78                                       
CONECT   13   52   12   79   80                                       
CONECT   14   56   81                                                 
CONECT   15   16   56                                                 
CONECT   16   17   15   82   83                                       
CONECT   17   49   16   84   85                                       
CONECT   18   49   86   87   88                                       
CONECT   19   49   89   90   91                                       
CONECT   20   49   92   93   94                                       
CONECT   21    4   48   48   95                                       
CONECT   22   23    8   96   97                                       
CONECT   23   24   22   98   99                                       
CONECT   24   25   23  100  101                                       
CONECT   25   26   24  102  103                                       
CONECT   26    9   25  104  105                                       
CONECT   27    3   37  106  107                                       
CONECT   28   54   29   55   55                                       
CONECT   29   30   28  108  109                                       
CONECT   30   29   31  110  111                                       
CONECT   31   30   32  112  113                                       
CONECT   32   31   33  114  115                                       
CONECT   33   32   34  116  117                                       
CONECT   34   33   35  118  119                                       
CONECT   35   34   36  120  121                                       
CONECT   36   35   38   38  122                                       
CONECT   37   27   45  123  124                                       
CONECT   38   36   36   39  125                                       
CONECT   39   38   40  126  127                                       
CONECT   40   39   41  128  129                                       
CONECT   41   40   42  130  131                                       
CONECT   42   41   43  132  133                                       
CONECT   43   42   44  134  135                                       
CONECT   44   43  136  137  138                                       
CONECT   45   37   46  139  140                                       
CONECT   46   47   45  141  142                                       
CONECT   47   48   46  143  144                                       
CONECT   48   21   21   47  145                                       
CONECT   49   20   19   17   18                                       
CONECT   50   10   10                                                 
CONECT   51   11   10                                                 
CONECT   52   56   13                                                 
CONECT   53   56   56                                                 
CONECT   54   12   28                                                 
CONECT   55   28   28                                                 
CONECT   56   53   53   14   15                                       
CONECT   56   52                                                      
CONECT   57    1                                                      
CONECT   58    1                                                      
CONECT   59    1                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   11                                                      
CONECT   77   11                                                      
CONECT   78   12                                                      
CONECT   79   13                                                      
CONECT   80   13                                                      
CONECT   81   14                                                      
CONECT   82   16                                                      
CONECT   83   16                                                      
CONECT   84   17                                                      
CONECT   85   17                                                      
CONECT   86   18                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   19                                                      
CONECT   92   20                                                      
CONECT   93   20                                                      
CONECT   94   20                                                      
CONECT   95   21                                                      
CONECT   96   22                                                      
CONECT   97   22                                                      
CONECT   98   23                                                      
CONECT   99   23                                                      
CONECT  100   24                                                      
CONECT  101   24                                                      
CONECT  102   25                                                      
CONECT  103   25                                                      
CONECT  104   26                                                      
CONECT  105   26                                                      
CONECT  106   27                                                      
CONECT  107   27                                                      
CONECT  108   29                                                      
CONECT  109   29                                                      
CONECT  110   30                                                      
CONECT  111   30                                                      
CONECT  112   31                                                      
CONECT  113   31                                                      
CONECT  114   32                                                      
CONECT  115   32                                                      
CONECT  116   33                                                      
CONECT  117   33                                                      
CONECT  118   34                                                      
CONECT  119   34                                                      
CONECT  120   35                                                      
CONECT  121   35                                                      
CONECT  122   36                                                      
CONECT  123   37                                                      
CONECT  124   37                                                      
CONECT  125   38                                                      
CONECT  126   39                                                      
CONECT  127   39                                                      
CONECT  128   40                                                      
CONECT  129   40                                                      
CONECT  130   41                                                      
CONECT  131   41                                                      
CONECT  132   42                                                      
CONECT  133   42                                                      
CONECT  134   43                                                      
CONECT  135   43                                                      
CONECT  136   44                                                      
CONECT  137   44                                                      
CONECT  138   44                                                      
CONECT  139   45                                                      
CONECT  140   45                                                      
CONECT  141   46                                                      
CONECT  142   46                                                      
CONECT  143   47                                                      
CONECT  144   47                                                      
CONECT  145   48                                                      
MASTER        0    0    0    0    0    0    0    0  145    0  145    0
END
