COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      19.529   1.679  -1.390  1.00  0.00           C  
HETATM    2  C   UNL     1      18.427   0.811  -0.780  1.00  0.00           C  
HETATM    3  C   UNL     1      17.063   1.442  -1.066  1.00  0.00           C  
HETATM    4  C   UNL     1      15.961   0.573  -0.456  1.00  0.00           C  
HETATM    5  C   UNL     1      14.597   1.205  -0.743  1.00  0.00           C  
HETATM    6  C   UNL     1      13.495   0.336  -0.133  1.00  0.00           C  
HETATM    7  C   UNL     1      12.131   0.968  -0.420  1.00  0.00           C  
HETATM    8  C   UNL     1      11.029   0.100   0.191  1.00  0.00           C  
HETATM    9  C   UNL     1       9.665   0.731  -0.096  1.00  0.00           C  
HETATM   10  C   UNL     1       8.563  -0.138   0.514  1.00  0.00           C  
HETATM   11  C   UNL     1       7.199   0.494   0.227  1.00  0.00           C  
HETATM   12  C   UNL     1       6.097  -0.374   0.837  1.00  0.00           C  
HETATM   13  C   UNL     1       4.733   0.257   0.550  1.00  0.00           C  
HETATM   14  C   UNL     1       3.631  -0.611   1.161  1.00  0.00           C  
HETATM   15  C   UNL     1       2.267   0.020   0.874  1.00  0.00           C  
HETATM   16  C   UNL     1       1.164  -0.848   1.484  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.199  -0.217   1.197  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.285  -1.072   1.798  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.998  -2.083   2.395  1.00  0.00           O  
HETATM   20  O   UNL     1      -2.572  -0.711   1.671  1.00  0.00           O  
HETATM   21  C   UNL     1      -3.564  -1.583   2.275  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.001  -2.639   1.259  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.671  -2.003   0.168  1.00  0.00           O  
HETATM   24  P   UNL     1      -5.267  -2.814  -1.088  1.00  0.00           P  
HETATM   25  O   UNL     1      -4.062  -3.499  -1.906  1.00  0.00           O  
HETATM   26  O   UNL     1      -6.193  -3.862  -0.604  1.00  0.00           O  
HETATM   27  O   UNL     1      -6.063  -1.800  -2.053  1.00  0.00           O  
HETATM   28  C   UNL     1      -6.796  -2.231  -3.201  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.426  -1.019  -3.889  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.366  -0.146  -4.411  1.00  0.00           N  
HETATM   31  C   UNL     1      -4.777  -0.754   2.704  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.421  -0.195   1.529  1.00  0.00           O  
HETATM   33  C   UNL     1      -6.509   0.563   1.733  1.00  0.00           C  
HETATM   34  O   UNL     1      -6.910   0.754   2.857  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.231   1.177   0.561  1.00  0.00           C  
HETATM   36  C   UNL     1      -8.427   1.987   1.066  1.00  0.00           C  
HETATM   37  C   UNL     1      -9.160   2.610  -0.124  1.00  0.00           C  
HETATM   38  C   UNL     1     -10.356   3.420   0.381  1.00  0.00           C  
HETATM   39  C   UNL     1     -11.088   4.043  -0.809  1.00  0.00           C  
HETATM   40  C   UNL     1     -12.284   4.853  -0.305  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.017   5.476  -1.494  1.00  0.00           C  
HETATM   42  H   UNL     1      19.381   1.750  -2.467  1.00  0.00           H  
HETATM   43  H   UNL     1      19.491   2.676  -0.951  1.00  0.00           H  
HETATM   44  H   UNL     1      20.501   1.229  -1.186  1.00  0.00           H  
HETATM   45  H   UNL     1      18.465  -0.187  -1.218  1.00  0.00           H  
HETATM   46  H   UNL     1      18.575   0.739   0.298  1.00  0.00           H  
HETATM   47  H   UNL     1      17.025   2.439  -0.628  1.00  0.00           H  
HETATM   48  H   UNL     1      16.915   1.513  -2.144  1.00  0.00           H  
HETATM   49  H   UNL     1      15.999  -0.424  -0.895  1.00  0.00           H  
HETATM   50  H   UNL     1      16.109   0.502   0.621  1.00  0.00           H  
HETATM   51  H   UNL     1      14.559   2.202  -0.305  1.00  0.00           H  
HETATM   52  H   UNL     1      14.449   1.276  -1.821  1.00  0.00           H  
HETATM   53  H   UNL     1      13.533  -0.661  -0.572  1.00  0.00           H  
HETATM   54  H   UNL     1      13.643   0.266   0.945  1.00  0.00           H  
HETATM   55  H   UNL     1      12.093   1.965   0.019  1.00  0.00           H  
HETATM   56  H   UNL     1      11.983   1.039  -1.497  1.00  0.00           H  
HETATM   57  H   UNL     1      11.067  -0.898  -0.248  1.00  0.00           H  
HETATM   58  H   UNL     1      11.177   0.029   1.268  1.00  0.00           H  
HETATM   59  H   UNL     1       9.627   1.728   0.342  1.00  0.00           H  
HETATM   60  H   UNL     1       9.517   0.802  -1.174  1.00  0.00           H  
HETATM   61  H   UNL     1       8.601  -1.135   0.075  1.00  0.00           H  
HETATM   62  H   UNL     1       8.711  -0.208   1.591  1.00  0.00           H  
HETATM   63  H   UNL     1       7.160   1.491   0.666  1.00  0.00           H  
HETATM   64  H   UNL     1       7.051   0.565  -0.850  1.00  0.00           H  
HETATM   65  H   UNL     1       6.135  -1.372   0.399  1.00  0.00           H  
HETATM   66  H   UNL     1       6.245  -0.445   1.915  1.00  0.00           H  
HETATM   67  H   UNL     1       4.694   1.254   0.989  1.00  0.00           H  
HETATM   68  H   UNL     1       4.584   0.328  -0.527  1.00  0.00           H  
HETATM   69  H   UNL     1       3.669  -1.609   0.722  1.00  0.00           H  
HETATM   70  H   UNL     1       3.779  -0.683   2.238  1.00  0.00           H  
HETATM   71  H   UNL     1       2.228   1.017   1.312  1.00  0.00           H  
HETATM   72  H   UNL     1       2.118   0.091  -0.204  1.00  0.00           H  
HETATM   73  H   UNL     1       1.203  -1.846   1.046  1.00  0.00           H  
HETATM   74  H   UNL     1       1.312  -0.919   2.562  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.238   0.780   1.636  1.00  0.00           H  
HETATM   76  H   UNL     1      -0.348  -0.146   0.120  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.133  -2.074   3.147  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.125  -3.170   0.887  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.678  -3.346   1.738  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.415  -2.870  -2.254  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.122  -2.733  -3.895  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.580  -2.923  -2.893  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.057  -1.355  -4.712  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.031  -0.467  -3.170  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.753  -0.652  -5.031  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.758   0.663  -4.870  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.482  -1.392   3.236  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.451   0.054   3.359  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.550   1.833   0.019  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.581   0.387  -0.104  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.107   1.330   1.608  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.076   2.776   1.731  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.479   3.266  -0.666  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.510   1.821  -0.789  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.036   2.763   0.923  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.005   4.209   1.046  1.00  0.00           H  
HETATM   97  H   UNL     1     -10.408   4.699  -1.352  1.00  0.00           H  
HETATM   98  H   UNL     1     -11.439   3.253  -1.474  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.965   4.196   0.238  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.934   5.642   0.360  1.00  0.00           H  
HETATM  101  H   UNL     1     -13.367   4.686  -2.159  1.00  0.00           H  
HETATM  102  H   UNL     1     -13.869   6.053  -1.135  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.336   6.132  -2.037  1.00  0.00           H  
CONECT    1    2   42   43   44                                       
CONECT    2    3    1   45   46                                       
CONECT    3    4    2   47   48                                       
CONECT    4    5    3   49   50                                       
CONECT    5    6    4   51   52                                       
CONECT    6    7    5   53   54                                       
CONECT    7    8    6   55   56                                       
CONECT    8    9    7   57   58                                       
CONECT    9   10    8   59   60                                       
CONECT   10   11    9   61   62                                       
CONECT   11   12   10   63   64                                       
CONECT   12   13   11   65   66                                       
CONECT   13   14   12   67   68                                       
CONECT   14   15   13   69   70                                       
CONECT   15   16   14   71   72                                       
CONECT   16   17   15   73   74                                       
CONECT   17   18   16   75   76                                       
CONECT   18   19   19   20   17                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   22   20   31   77                                       
CONECT   22   23   21   78   79                                       
CONECT   23   24   22                                                 
CONECT   24   26   26   27   23                                       
CONECT   24   25                                                      
CONECT   25   24   80                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   29   27   81   82                                       
CONECT   29   30   28   83   84                                       
CONECT   30   29   85   86                                            
CONECT   31   21   32   87   88                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   89   90                                       
CONECT   36   35   37   91   92                                       
CONECT   37   36   38   93   94                                       
CONECT   38   37   39   95   96                                       
CONECT   39   38   40   97   98                                       
CONECT   40   39   41   99  100                                       
CONECT   41   40  101  102  103                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   16                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   25                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   36                                                      
CONECT   93   37                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   38                                                      
CONECT   97   39                                                      
CONECT   98   39                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
CONECT  102   41                                                      
CONECT  103   41                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
