COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.112  -0.751   0.132  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.649  -0.520   0.995  1.00  0.00           O  
HETATM    3  O   UNL     1       0.283   0.581   0.336  1.00  0.00           O  
HETATM    4  C   UNL     1       5.066  -1.701   0.859  1.00  0.00           C  
HETATM    5  C   UNL     1       5.582  -2.755  -0.122  1.00  0.00           C  
HETATM    6  O   UNL     1       0.479   3.851   1.976  1.00  0.00           O  
HETATM    7  C   UNL     1       6.536  -3.705   0.605  1.00  0.00           C  
HETATM    8  C   UNL     1       7.051  -4.760  -0.376  1.00  0.00           C  
HETATM    9  C   UNL     1       8.006  -5.709   0.351  1.00  0.00           C  
HETATM   10  C   UNL     1       8.521  -6.764  -0.630  1.00  0.00           C  
HETATM   11  C   UNL     1     -15.194  -1.971   0.542  1.00  0.00           C  
HETATM   12  C   UNL     1     -16.160  -2.948   0.689  1.00  0.00           C  
HETATM   13  C   UNL     1     -16.407  -3.837  -0.341  1.00  0.00           C  
HETATM   14  C   UNL     1     -15.687  -3.747  -1.518  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.721  -2.770  -1.665  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.474  -1.882  -0.635  1.00  0.00           C  
HETATM   17  C   UNL     1     -13.425  -0.812  -0.798  1.00  0.00           C  
HETATM   18  C   UNL     1     -12.075  -1.343  -0.312  1.00  0.00           C  
HETATM   19  C   UNL     1     -11.011  -0.257  -0.477  1.00  0.00           C  
HETATM   20  C   UNL     1      -9.660  -0.789   0.009  1.00  0.00           C  
HETATM   21  C   UNL     1      -8.596   0.298  -0.156  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.952   0.561   0.536  1.00  0.00           C  
HETATM   23  N   UNL     1      -6.226   0.806   0.171  1.00  0.00           N  
HETATM   24  C   UNL     1      -7.246  -0.234   0.329  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.903   1.631   0.373  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.553   1.100   0.859  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.488   2.186   0.694  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.138   1.654   1.180  1.00  0.00           C  
HETATM   29  C   UNL     1       0.900   2.778   1.132  1.00  0.00           C  
HETATM   30  C   UNL     1       2.250   2.246   1.617  1.00  0.00           C  
HETATM   31  C   UNL     1       3.252   3.399   1.700  1.00  0.00           C  
HETATM   32  O   UNL     1       3.332   4.053   0.431  1.00  0.00           O  
HETATM   33  C   UNL     1       4.245   5.151   0.400  1.00  0.00           C  
HETATM   34  C   UNL     1       4.071   5.923  -0.910  1.00  0.00           C  
HETATM   35  O   UNL     1       2.717   6.366  -1.027  1.00  0.00           O  
HETATM   36  C   UNL     1       4.411   5.002  -2.086  1.00  0.00           C  
HETATM   37  O   UNL     1       4.321   5.735  -3.309  1.00  0.00           O  
HETATM   38  C   UNL     1       5.837   4.472  -1.909  1.00  0.00           C  
HETATM   39  O   UNL     1       6.760   5.563  -1.947  1.00  0.00           O  
HETATM   40  C   UNL     1       5.943   3.756  -0.560  1.00  0.00           C  
HETATM   41  C   UNL     1       7.381   3.276  -0.350  1.00  0.00           C  
HETATM   42  O   UNL     1       7.455   2.508   0.853  1.00  0.00           O  
HETATM   43  O   UNL     1       5.584   4.660   0.487  1.00  0.00           O  
HETATM   44  N   UNL     1       2.744   1.236   0.678  1.00  0.00           N  
HETATM   45  C   UNL     1       3.604   0.288   1.099  1.00  0.00           C  
HETATM   46  O   UNL     1       3.969   0.271   2.255  1.00  0.00           O  
HETATM   47  C   UNL     1       9.475  -7.714   0.097  1.00  0.00           C  
HETATM   48  C   UNL     1       9.991  -8.768  -0.884  1.00  0.00           C  
HETATM   49  C   UNL     1      10.945  -9.718  -0.156  1.00  0.00           C  
HETATM   50  C   UNL     1      11.461 -10.773  -1.138  1.00  0.00           C  
HETATM   51  H   UNL     1       4.640  -0.260  -0.684  1.00  0.00           H  
HETATM   52  H   UNL     1       3.270  -1.317  -0.268  1.00  0.00           H  
HETATM   53  H   UNL     1       0.391   0.830  -0.593  1.00  0.00           H  
HETATM   54  H   UNL     1       5.907  -1.134   1.260  1.00  0.00           H  
HETATM   55  H   UNL     1       4.537  -2.192   1.676  1.00  0.00           H  
HETATM   56  H   UNL     1       4.740  -3.321  -0.522  1.00  0.00           H  
HETATM   57  H   UNL     1       6.110  -2.264  -0.938  1.00  0.00           H  
HETATM   58  H   UNL     1       0.297   3.586   2.888  1.00  0.00           H  
HETATM   59  H   UNL     1       7.377  -3.139   1.006  1.00  0.00           H  
HETATM   60  H   UNL     1       6.007  -4.196   1.422  1.00  0.00           H  
HETATM   61  H   UNL     1       6.210  -5.326  -0.776  1.00  0.00           H  
HETATM   62  H   UNL     1       7.580  -4.268  -1.192  1.00  0.00           H  
HETATM   63  H   UNL     1       8.847  -5.143   0.752  1.00  0.00           H  
HETATM   64  H   UNL     1       7.477  -6.201   1.168  1.00  0.00           H  
HETATM   65  H   UNL     1       7.680  -7.330  -1.030  1.00  0.00           H  
HETATM   66  H   UNL     1       9.050  -6.273  -1.446  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.005  -1.274   1.345  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.722  -3.018   1.609  1.00  0.00           H  
HETATM   69  H   UNL     1     -17.161  -4.601  -0.226  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.880  -4.442  -2.322  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.159  -2.700  -2.585  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.350  -0.534  -1.849  1.00  0.00           H  
HETATM   73  H   UNL     1     -13.704   0.063  -0.210  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.151  -1.621   0.739  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.797  -2.218  -0.900  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.935   0.021  -1.528  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.290   0.618   0.111  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.736  -1.066   1.060  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.382  -1.663  -0.579  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.520   0.575  -1.208  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.875   1.172   0.431  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.468   1.671  -0.196  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.321  -0.512   1.380  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.967  -1.109  -0.259  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.827   1.909  -0.678  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.182   2.506   0.961  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.628   0.822   1.910  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.274   0.225   0.271  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.412   2.464  -0.357  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.767   3.060   1.282  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.236   1.294   2.204  1.00  0.00           H  
HETATM   92  H   UNL     1       0.998   3.138   0.108  1.00  0.00           H  
HETATM   93  H   UNL     1       2.130   1.798   2.603  1.00  0.00           H  
HETATM   94  H   UNL     1       2.924   4.113   2.456  1.00  0.00           H  
HETATM   95  H   UNL     1       4.233   3.009   1.970  1.00  0.00           H  
HETATM   96  H   UNL     1       4.046   5.814   1.242  1.00  0.00           H  
HETATM   97  H   UNL     1       4.739   6.785  -0.918  1.00  0.00           H  
HETATM   98  H   UNL     1       2.432   6.951  -0.311  1.00  0.00           H  
HETATM   99  H   UNL     1       3.711   4.166  -2.108  1.00  0.00           H  
HETATM  100  H   UNL     1       3.445   6.106  -3.482  1.00  0.00           H  
HETATM  101  H   UNL     1       6.068   3.772  -2.712  1.00  0.00           H  
HETATM  102  H   UNL     1       6.742   6.064  -2.773  1.00  0.00           H  
HETATM  103  H   UNL     1       5.269   2.900  -0.549  1.00  0.00           H  
HETATM  104  H   UNL     1       7.685   2.658  -1.194  1.00  0.00           H  
HETATM  105  H   UNL     1       8.044   4.137  -0.272  1.00  0.00           H  
HETATM  106  H   UNL     1       8.339   2.170   1.050  1.00  0.00           H  
HETATM  107  H   UNL     1       2.451   1.250  -0.247  1.00  0.00           H  
HETATM  108  H   UNL     1      10.316  -7.147   0.498  1.00  0.00           H  
HETATM  109  H   UNL     1       8.947  -8.205   0.914  1.00  0.00           H  
HETATM  110  H   UNL     1       9.150  -9.334  -1.284  1.00  0.00           H  
HETATM  111  H   UNL     1      10.520  -8.277  -1.700  1.00  0.00           H  
HETATM  112  H   UNL     1      11.786  -9.152   0.244  1.00  0.00           H  
HETATM  113  H   UNL     1      10.417 -10.209   0.660  1.00  0.00           H  
HETATM  114  H   UNL     1      11.990 -10.281  -1.954  1.00  0.00           H  
HETATM  115  H   UNL     1      12.141 -11.449  -0.620  1.00  0.00           H  
HETATM  116  H   UNL     1      10.620 -11.339  -1.538  1.00  0.00           H  
CONECT    1   45    4   51   52                                       
CONECT    2   22   22                                                 
CONECT    3   28   53                                                 
CONECT    4    1    5   54   55                                       
CONECT    5    4    7   56   57                                       
CONECT    6   29   58                                                 
CONECT    7    5    8   59   60                                       
CONECT    8    7    9   61   62                                       
CONECT    9    8   10   63   64                                       
CONECT   10    9   47   65   66                                       
CONECT   11   12   16   16   67                                       
CONECT   12   13   13   11   68                                       
CONECT   13   12   12   14   69                                       
CONECT   14   13   15   15   70                                       
CONECT   15   14   14   16   71                                       
CONECT   16   11   11   15   17                                       
CONECT   17   16   18   72   73                                       
CONECT   18   17   19   74   75                                       
CONECT   19   18   20   76   77                                       
CONECT   20   19   21   78   79                                       
CONECT   21   24   20   80   81                                       
CONECT   22   25   23    2    2                                       
CONECT   23   22   24   82                                            
CONECT   24   23   21   83   84                                       
CONECT   25   26   22   85   86                                       
CONECT   26   27   25   87   88                                       
CONECT   27   28   26   89   90                                       
CONECT   28   29    3   27   91                                       
CONECT   29    6   30   28   92                                       
CONECT   30   31   29   44   93                                       
CONECT   31   32   30   94   95                                       
CONECT   32   33   31                                                 
CONECT   33   43   34   32   96                                       
CONECT   34   33   35   36   97                                       
CONECT   35   34   98                                                 
CONECT   36   34   38   37   99                                       
CONECT   37   36  100                                                 
CONECT   38   39   40   36  101                                       
CONECT   39   38  102                                                 
CONECT   40   43   41   38  103                                       
CONECT   41   42   40  104  105                                       
CONECT   42   41  106                                                 
CONECT   43   33   40                                                 
CONECT   44   30   45  107                                            
CONECT   45   44   46   46    1                                       
CONECT   46   45   45                                                 
CONECT   47   10   48  108  109                                       
CONECT   48   47   49  110  111                                       
CONECT   49   48   50  112  113                                       
CONECT   50   49  114  115  116                                       
CONECT   51    1                                                      
CONECT   52    1                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64    9                                                      
CONECT   65   10                                                      
CONECT   66   10                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   30                                                      
CONECT   94   31                                                      
CONECT   95   31                                                      
CONECT   96   33                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   36                                                      
CONECT  100   37                                                      
CONECT  101   38                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   41                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   44                                                      
CONECT  108   47                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   49                                                      
CONECT  114   50                                                      
CONECT  115   50                                                      
CONECT  116   50                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
