COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.184  -2.886  -0.667  1.00  0.00           C  
HETATM    2  C   UNL     1       1.698  -2.859  -0.628  1.00  0.00           C  
HETATM    3  C   UNL     1       4.009  -2.170   0.366  1.00  0.00           C  
HETATM    4  C   UNL     1       4.790  -0.011   1.024  1.00  0.00           C  
HETATM    5  C   UNL     1       5.454  -2.667   0.333  1.00  0.00           C  
HETATM    6  C   UNL     1       6.416  -1.566  -0.096  1.00  0.00           C  
HETATM    7  C   UNL     1       6.260  -0.288   0.723  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.253   7.273  -0.564  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.879   6.616  -0.710  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.954   5.164  -0.230  1.00  0.00           C  
HETATM   11  C   UNL     1       0.424   4.561  -0.210  1.00  0.00           C  
HETATM   12  C   UNL     1       1.298   4.807   0.732  1.00  0.00           C  
HETATM   13  C   UNL     1       2.662   4.149   0.675  1.00  0.00           C  
HETATM   14  C   UNL     1       2.771   3.127   1.806  1.00  0.00           C  
HETATM   15  C   UNL     1       3.038   1.731   1.268  1.00  0.00           C  
HETATM   16  C   UNL     1       4.486   1.485   0.858  1.00  0.00           C  
HETATM   17  C   UNL     1       1.593  -4.979  -1.818  1.00  0.00           C  
HETATM   18  C   UNL     1       0.749  -6.168  -1.337  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.707  -5.979  -1.753  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.265  -4.694  -1.136  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.444  -3.509  -1.661  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.977  -2.217  -1.107  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.865   0.005  -1.521  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.867   0.983  -2.699  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.489   2.327  -2.379  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.017   2.902  -1.047  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.836   4.391  -1.182  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.425   1.177  -3.180  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.287  -0.382  -1.200  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.807  -0.063  -0.041  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.175  -0.570   0.337  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.145   0.609   0.444  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.534   0.094   0.827  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.456  -0.627   2.175  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.486  -1.805   2.068  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.098  -1.290   1.684  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.370  -3.530   3.479  1.00  0.00           C  
HETATM   38  C   UNL     1      -4.109  -1.138  -2.212  1.00  0.00           C  
HETATM   39  C   UNL     1       5.848  -3.211   1.708  1.00  0.00           C  
HETATM   40  C   UNL     1       8.359   0.015   1.841  1.00  0.00           C  
HETATM   41  C   UNL     1       5.459   2.985  -0.744  1.00  0.00           C  
HETATM   42  C   UNL     1       3.821   3.572   2.818  1.00  0.00           C  
HETATM   43  C   UNL     1       0.984   5.731   1.878  1.00  0.00           C  
HETATM   44  N   UNL     1       0.965  -3.735  -1.332  1.00  0.00           N  
HETATM   45  O   UNL     1       3.970  -0.761   0.130  1.00  0.00           O  
HETATM   46  O   UNL     1       3.747  -3.457  -1.565  1.00  0.00           O  
HETATM   47  O   UNL     1       1.157  -2.048   0.106  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.251  -2.143   0.069  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.134  -1.178  -1.934  1.00  0.00           O  
HETATM   50  O   UNL     1      -2.395   4.983  -2.077  1.00  0.00           O  
HETATM   51  O   UNL     1      -3.918   2.254  -2.391  1.00  0.00           O  
HETATM   52  O   UNL     1      -6.414  -2.478   3.326  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.753  -1.108   2.533  1.00  0.00           O  
HETATM   54  O   UNL     1       3.459  -2.439   1.666  1.00  0.00           O  
HETATM   55  O   UNL     1       6.994  -0.395   1.945  1.00  0.00           O  
HETATM   56  O   UNL     1       4.645   1.831  -0.524  1.00  0.00           O  
HETATM   57  H   UNL     1       4.569  -0.294   2.055  1.00  0.00           H  
HETATM   58  H   UNL     1       5.525  -3.492  -0.388  1.00  0.00           H  
HETATM   59  H   UNL     1       7.444  -1.932   0.012  1.00  0.00           H  
HETATM   60  H   UNL     1       6.251  -1.335  -1.152  1.00  0.00           H  
HETATM   61  H   UNL     1       6.667   0.553   0.147  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.177   8.333  -0.810  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.959   6.793  -1.242  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.602   7.162   0.462  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.575   6.638  -1.757  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.150   7.161  -0.109  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.400   5.128   0.762  1.00  0.00           H  
HETATM   68  H   UNL     1       0.713   3.886  -1.013  1.00  0.00           H  
HETATM   69  H   UNL     1       2.780   3.652  -0.288  1.00  0.00           H  
HETATM   70  H   UNL     1       3.430   4.918   0.792  1.00  0.00           H  
HETATM   71  H   UNL     1       1.796   3.102   2.330  1.00  0.00           H  
HETATM   72  H   UNL     1       2.767   0.995   2.041  1.00  0.00           H  
HETATM   73  H   UNL     1       2.384   1.547   0.408  1.00  0.00           H  
HETATM   74  H   UNL     1       5.195   2.048   1.441  1.00  0.00           H  
HETATM   75  H   UNL     1       2.598  -5.084  -1.408  1.00  0.00           H  
HETATM   76  H   UNL     1       1.631  -4.969  -2.906  1.00  0.00           H  
HETATM   77  H   UNL     1       1.136  -7.086  -1.777  1.00  0.00           H  
HETATM   78  H   UNL     1       0.809  -6.234  -0.250  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.770  -5.909  -2.838  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.298  -6.830  -1.410  1.00  0.00           H  
HETATM   81  H   UNL     1      -2.307  -4.569  -1.417  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.182  -4.746  -0.050  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.546  -3.486  -2.754  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.396   0.461  -0.658  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.431   0.520  -3.522  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.194   3.040  -3.169  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.758   2.701  -0.279  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.072   2.444  -0.747  1.00  0.00           H  
HETATM   89  H   UNL     1       0.157   1.665  -2.398  1.00  0.00           H  
HETATM   90  H   UNL     1       0.016   0.206  -3.409  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.421   1.798  -4.076  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.256   0.565   0.644  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.529  -1.263  -0.426  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.791   1.302   1.206  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.200   1.122  -0.516  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.224   0.933   0.903  1.00  0.00           H  
HETATM   97  H   UNL     1      -7.887  -0.600   0.064  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.102   0.067   2.938  1.00  0.00           H  
HETATM   99  H   UNL     1      -6.840  -2.499   1.305  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.407  -2.130   1.608  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.744  -0.597   2.447  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.250  -3.990   4.460  1.00  0.00           H  
HETATM  103  H   UNL     1      -8.377  -3.121   3.390  1.00  0.00           H  
HETATM  104  H   UNL     1      -7.212  -4.280   2.704  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.052  -2.206  -2.003  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.148  -0.811  -2.154  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.723  -0.942  -3.213  1.00  0.00           H  
HETATM  108  H   UNL     1       5.189  -4.038   1.974  1.00  0.00           H  
HETATM  109  H   UNL     1       6.879  -3.564   1.678  1.00  0.00           H  
HETATM  110  H   UNL     1       5.756  -2.420   2.452  1.00  0.00           H  
HETATM  111  H   UNL     1       8.846  -0.097   2.809  1.00  0.00           H  
HETATM  112  H   UNL     1       8.869  -0.605   1.103  1.00  0.00           H  
HETATM  113  H   UNL     1       8.402   1.059   1.530  1.00  0.00           H  
HETATM  114  H   UNL     1       5.070   3.820  -0.162  1.00  0.00           H  
HETATM  115  H   UNL     1       6.482   2.772  -0.436  1.00  0.00           H  
HETATM  116  H   UNL     1       5.445   3.243  -1.803  1.00  0.00           H  
HETATM  117  H   UNL     1       3.536   4.537   3.236  1.00  0.00           H  
HETATM  118  H   UNL     1       3.888   2.835   3.618  1.00  0.00           H  
HETATM  119  H   UNL     1       4.788   3.661   2.323  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.058   6.044   1.818  1.00  0.00           H  
HETATM  121  H   UNL     1       1.153   5.210   2.821  1.00  0.00           H  
HETATM  122  H   UNL     1       1.630   6.607   1.826  1.00  0.00           H  
HETATM  123  H   UNL     1      -4.356   3.093  -2.190  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.420  -0.413   2.619  1.00  0.00           H  
HETATM  125  H   UNL     1       2.541  -2.154   1.771  1.00  0.00           H  
CONECT    1    3   46   46    2                                       
CONECT    2    1   47   47   44                                       
CONECT    3   54   45    5    1                                       
CONECT    4   16    7   45   57                                       
CONECT    5    6    3   39   58                                       
CONECT    6    7    5   59   60                                       
CONECT    7   55    4    6   61                                       
CONECT    8    9   62   63   64                                       
CONECT    9   10    8   65   66                                       
CONECT   10   11    9   27   67                                       
CONECT   11   12   12   10   68                                       
CONECT   12   13   11   11   43                                       
CONECT   13   14   12   69   70                                       
CONECT   14   42   13   15   71                                       
CONECT   15   16   14   72   73                                       
CONECT   16   56    4   15   74                                       
CONECT   17   44   18   75   76                                       
CONECT   18   17   19   77   78                                       
CONECT   19   18   20   79   80                                       
CONECT   20   21   19   81   82                                       
CONECT   21   44   22   20   83                                       
CONECT   22   49   21   48   48                                       
CONECT   23   24   49   29   84                                       
CONECT   24   28   25   23   85                                       
CONECT   25   26   24   51   86                                       
CONECT   26   27   25   87   88                                       
CONECT   27   10   50   50   26                                       
CONECT   28   24   89   90   91                                       
CONECT   29   38   23   30   30                                       
CONECT   30   29   29   31   92                                       
CONECT   31   30   32   36   93                                       
CONECT   32   31   33   94   95                                       
CONECT   33   32   34   96   97                                       
CONECT   34   33   35   53   98                                       
CONECT   35   36   34   52   99                                       
CONECT   36   31   35  100  101                                       
CONECT   37   52  102  103  104                                       
CONECT   38   29  105  106  107                                       
CONECT   39    5  108  109  110                                       
CONECT   40   55  111  112  113                                       
CONECT   41   56  114  115  116                                       
CONECT   42   14  117  118  119                                       
CONECT   43   12  120  121  122                                       
CONECT   44    2   17   21                                            
CONECT   45    4    3                                                 
CONECT   46    1    1                                                 
CONECT   47    2    2                                                 
CONECT   48   22   22                                                 
CONECT   49   23   22                                                 
CONECT   50   27   27                                                 
CONECT   51   25  123                                                 
CONECT   52   35   37                                                 
CONECT   53   34  124                                                 
CONECT   54    3  125                                                 
CONECT   55   40    7                                                 
CONECT   56   41   16                                                 
CONECT   57    4                                                      
CONECT   58    5                                                      
CONECT   59    6                                                      
CONECT   60    6                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63    8                                                      
CONECT   64    8                                                      
CONECT   65    9                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   17                                                      
CONECT   76   17                                                      
CONECT   77   18                                                      
CONECT   78   18                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   20                                                      
CONECT   83   21                                                      
CONECT   84   23                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   28                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   32                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   38                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   39                                                      
CONECT  111   40                                                      
CONECT  112   40                                                      
CONECT  113   40                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   43                                                      
CONECT  122   43                                                      
CONECT  123   51                                                      
CONECT  124   53                                                      
CONECT  125   54                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
