COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.207   1.311  -9.767  1.00  0.00           C  
HETATM    2  O   UNL     1       3.231   1.965  -9.756  1.00  0.00           O  
HETATM    3  C   UNL     1       2.183  -0.036  -9.168  1.00  0.00           C  
HETATM    4  C   UNL     1       3.436  -0.595  -8.544  1.00  0.00           C  
HETATM    5  C   UNL     1       1.063  -0.771  -9.172  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.178  -0.256  -9.780  1.00  0.00           C  
HETATM    7  O   UNL     1      -1.185  -0.937  -9.780  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.195   1.092 -10.384  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.353   1.602 -10.958  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.341   2.868 -11.524  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.186   3.626 -11.521  1.00  0.00           C  
HETATM   12  C   UNL     1       0.977   3.131 -10.952  1.00  0.00           C  
HETATM   13  C   UNL     1       0.980   1.864 -10.380  1.00  0.00           C  
HETATM   14  C   UNL     1       1.073  -2.144  -8.552  1.00  0.00           C  
HETATM   15  C   UNL     1       0.704  -2.041  -7.095  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.282  -2.758  -6.616  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.973  -3.769  -7.494  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.725  -2.571  -5.188  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.815  -1.498  -5.128  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.258  -1.312  -3.700  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.214  -0.123  -3.151  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.832   1.075  -3.979  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.544   0.043  -1.690  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.269  -0.108  -0.858  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.600   0.059   0.602  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.268  -0.874   1.460  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.452  -2.057   1.007  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.703  -0.764   2.898  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.062  -1.443   3.074  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.497  -1.333   4.512  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.638  -0.763   4.810  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.460  -0.112   3.728  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.129  -0.757   6.235  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.610   0.493   6.948  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.101   0.498   8.373  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.241   0.480   9.361  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.723   0.632  10.781  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.771   0.307   9.079  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.096   1.679   9.030  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.626   1.507   8.748  1.00  0.00           C  
HETATM   41  C   UNL     1      -0.075   2.136   7.740  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.879   3.127   6.939  1.00  0.00           C  
HETATM   43  C   UNL     1       1.363   1.868   7.381  1.00  0.00           C  
HETATM   44  C   UNL     1       1.433   0.721   6.372  1.00  0.00           C  
HETATM   45  C   UNL     1       2.872   0.453   6.013  1.00  0.00           C  
HETATM   46  C   UNL     1       3.368  -0.750   6.151  1.00  0.00           C  
HETATM   47  C   UNL     1       4.835  -0.993   5.907  1.00  0.00           C  
HETATM   48  C   UNL     1       2.472  -1.893   6.553  1.00  0.00           C  
HETATM   49  C   UNL     1       5.608  -0.803   7.214  1.00  0.00           C  
HETATM   50  C   UNL     1       7.075  -1.045   6.970  1.00  0.00           C  
HETATM   51  C   UNL     1       7.953  -0.129   7.295  1.00  0.00           C  
HETATM   52  C   UNL     1       9.406  -0.320   6.943  1.00  0.00           C  
HETATM   53  C   UNL     1       7.510   1.115   8.021  1.00  0.00           C  
HETATM   54  H   UNL     1       4.241   0.134  -8.632  1.00  0.00           H  
HETATM   55  H   UNL     1       3.253  -0.809  -7.491  1.00  0.00           H  
HETATM   56  H   UNL     1       3.720  -1.513  -9.058  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.259   1.015 -10.964  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.241   3.265 -11.970  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.189   4.610 -11.964  1.00  0.00           H  
HETATM   60  H   UNL     1       1.877   3.728 -10.952  1.00  0.00           H  
HETATM   61  H   UNL     1       2.069  -2.577  -8.644  1.00  0.00           H  
HETATM   62  H   UNL     1       0.351  -2.780  -9.065  1.00  0.00           H  
HETATM   63  H   UNL     1       1.252  -1.375  -6.445  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.701  -4.326  -6.903  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.483  -3.255  -8.308  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.235  -4.458  -7.905  1.00  0.00           H  
HETATM   67  H   UNL     1       0.124  -2.259  -4.581  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.120  -3.512  -4.804  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.665  -1.810  -5.735  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.420  -0.558  -5.512  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.613  -2.157  -3.130  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.485   1.138  -4.850  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.938   1.979  -3.379  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.797   0.976  -4.307  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.266  -0.717  -1.391  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.970   1.033  -1.525  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.548   0.652  -1.157  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.843  -1.097  -1.023  1.00  0.00           H  
HETATM   79  H   UNL     1      -2.109   0.948   0.942  1.00  0.00           H  
HETATM   80  H   UNL     1       0.464  -1.707   0.533  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.202  -2.676   1.869  1.00  0.00           H  
HETATM   82  H   UNL     1      -1.029  -2.645   0.293  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.784   0.287   3.174  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.968  -1.251   3.538  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.981  -2.495   2.798  1.00  0.00           H  
HETATM   86  H   UNL     1      -3.798  -0.955   2.434  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.868  -1.725   5.298  1.00  0.00           H  
HETATM   88  H   UNL     1      -5.792  -0.870   3.018  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.329   0.372   4.173  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.855   0.630   3.209  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.763  -1.646   6.749  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.219  -0.755   6.244  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.976   1.382   6.434  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.520   0.490   6.939  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.161   0.517   8.579  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.807   0.745  10.787  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.447  -0.252  11.355  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.263   1.513  11.229  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.642  -0.194   8.120  1.00  0.00           H  
HETATM  100  H   UNL     1      -2.318  -0.292   9.867  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.226   2.182   9.989  1.00  0.00           H  
HETATM  102  H   UNL     1      -2.550   2.280   8.242  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.027   0.864   9.376  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.257   3.545   6.148  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.739   2.623   6.496  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.224   3.928   7.592  1.00  0.00           H  
HETATM  107  H   UNL     1       1.917   1.596   8.279  1.00  0.00           H  
HETATM  108  H   UNL     1       1.801   2.765   6.942  1.00  0.00           H  
HETATM  109  H   UNL     1       0.879   0.993   5.473  1.00  0.00           H  
HETATM  110  H   UNL     1       0.995  -0.175   6.810  1.00  0.00           H  
HETATM  111  H   UNL     1       3.494   1.254   5.642  1.00  0.00           H  
HETATM  112  H   UNL     1       5.202  -0.287   5.162  1.00  0.00           H  
HETATM  113  H   UNL     1       4.980  -2.011   5.545  1.00  0.00           H  
HETATM  114  H   UNL     1       1.635  -1.961   5.858  1.00  0.00           H  
HETATM  115  H   UNL     1       3.038  -2.824   6.531  1.00  0.00           H  
HETATM  116  H   UNL     1       2.094  -1.721   7.561  1.00  0.00           H  
HETATM  117  H   UNL     1       5.241  -1.509   7.959  1.00  0.00           H  
HETATM  118  H   UNL     1       5.463   0.214   7.576  1.00  0.00           H  
HETATM  119  H   UNL     1       7.402  -1.974   6.528  1.00  0.00           H  
HETATM  120  H   UNL     1       9.980   0.539   7.291  1.00  0.00           H  
HETATM  121  H   UNL     1       9.780  -1.224   7.422  1.00  0.00           H  
HETATM  122  H   UNL     1       9.509  -0.411   5.862  1.00  0.00           H  
HETATM  123  H   UNL     1       6.976   0.835   8.929  1.00  0.00           H  
HETATM  124  H   UNL     1       8.383   1.713   8.282  1.00  0.00           H  
HETATM  125  H   UNL     1       6.851   1.696   7.376  1.00  0.00           H  
CONECT    1    2    2    3   13                                       
CONECT    2    1    1                                                 
CONECT    3    1    4    5    5                                       
CONECT    4    3   54   55   56                                       
CONECT    5    3    3    6   14                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9    9   13                                       
CONECT    9    8    8   10   57                                       
CONECT   10    9   11   11   58                                       
CONECT   11   10   10   12   59                                       
CONECT   12   11   13   13   60                                       
CONECT   13    1    8   12   12                                       
CONECT   14    5   15   61   62                                       
CONECT   15   14   16   16   63                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   64   65   66                                       
CONECT   18   16   19   67   68                                       
CONECT   19   18   20   69   70                                       
CONECT   20   19   21   21   71                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   72   73   74                                       
CONECT   23   21   24   75   76                                       
CONECT   24   23   25   77   78                                       
CONECT   25   24   26   26   79                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   80   81   82                                       
CONECT   28   26   29   83   84                                       
CONECT   29   28   30   85   86                                       
CONECT   30   29   31   31   87                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   88   89   90                                       
CONECT   33   31   34   91   92                                       
CONECT   34   33   35   93   94                                       
CONECT   35   34   36   36   95                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36   96   97   98                                       
CONECT   38   36   39   99  100                                       
CONECT   39   38   40  101  102                                       
CONECT   40   39   41   41  103                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41  104  105  106                                       
CONECT   43   41   44  107  108                                       
CONECT   44   43   45  109  110                                       
CONECT   45   44   46   46  111                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46   49  112  113                                       
CONECT   48   46  114  115  116                                       
CONECT   49   47   50  117  118                                       
CONECT   50   49   51   51  119                                       
CONECT   51   50   50   52   53                                       
CONECT   52   51  120  121  122                                       
CONECT   53   51  123  124  125                                       
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    4                                                      
CONECT   57    9                                                      
CONECT   58   10                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   14                                                      
CONECT   62   14                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   17                                                      
CONECT   67   18                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   22                                                      
CONECT   73   22                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   32                                                      
CONECT   89   32                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   37                                                      
CONECT   99   38                                                      
CONECT  100   38                                                      
CONECT  101   39                                                      
CONECT  102   39                                                      
CONECT  103   40                                                      
CONECT  104   42                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   43                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   44                                                      
CONECT  111   45                                                      
CONECT  112   47                                                      
CONECT  113   47                                                      
CONECT  114   48                                                      
CONECT  115   48                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   49                                                      
CONECT  119   50                                                      
CONECT  120   52                                                      
CONECT  121   52                                                      
CONECT  122   52                                                      
CONECT  123   53                                                      
CONECT  124   53                                                      
CONECT  125   53                                                      
MASTER        0    0    0    0    0    0    0    0  125    0  125    0
END
