COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.286   0.771   0.412  1.00  0.00           C  
HETATM    2  C   UNL     1      10.279  -0.095  -0.348  1.00  0.00           C  
HETATM    3  C   UNL     1       8.951  -0.119   0.410  1.00  0.00           C  
HETATM    4  C   UNL     1       7.945  -0.985  -0.350  1.00  0.00           C  
HETATM    5  C   UNL     1       6.616  -1.008   0.409  1.00  0.00           C  
HETATM    6  C   UNL     1       5.610  -1.875  -0.352  1.00  0.00           C  
HETATM    7  C   UNL     1       4.281  -1.898   0.407  1.00  0.00           C  
HETATM    8  C   UNL     1       3.275  -2.764  -0.354  1.00  0.00           C  
HETATM    9  C   UNL     1       1.947  -2.787   0.405  1.00  0.00           C  
HETATM   10  C   UNL     1       0.956  -3.641  -0.344  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.545  -4.713   0.065  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.155  -3.395   0.074  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.200  -2.011   0.063  1.00  0.00           C  
HETATM   14  C   UNL     1      21.953   4.352  -0.338  1.00  0.00           C  
HETATM   15  C   UNL     1      20.625   4.329   0.420  1.00  0.00           C  
HETATM   16  C   UNL     1      19.618   3.463  -0.340  1.00  0.00           C  
HETATM   17  C   UNL     1      18.290   3.440   0.418  1.00  0.00           C  
HETATM   18  C   UNL     1      17.284   2.573  -0.342  1.00  0.00           C  
HETATM   19  C   UNL     1      15.955   2.550   0.416  1.00  0.00           C  
HETATM   20  C   UNL     1      14.949   1.684  -0.344  1.00  0.00           C  
HETATM   21  C   UNL     1      13.620   1.661   0.414  1.00  0.00           C  
HETATM   22  C   UNL     1      12.614   0.794  -0.346  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.187  -4.642  -0.636  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.496  -3.344   0.055  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.713  -2.233   0.038  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.427  -0.880   0.046  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.941  -1.102   0.021  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.655   0.251   0.029  1.00  0.00           C  
HETATM   29  C   UNL     1     -11.169   0.029   0.004  1.00  0.00           C  
HETATM   30  C   UNL     1     -11.883   1.382   0.012  1.00  0.00           C  
HETATM   31  C   UNL     1     -13.396   1.160  -0.013  1.00  0.00           C  
HETATM   32  C   UNL     1     -14.111   2.513  -0.005  1.00  0.00           C  
HETATM   33  C   UNL     1     -15.624   2.291  -0.030  1.00  0.00           C  
HETATM   34  C   UNL     1     -16.338   3.644  -0.022  1.00  0.00           C  
HETATM   35  C   UNL     1     -17.852   3.422  -0.047  1.00  0.00           C  
HETATM   36  C   UNL     1     -18.566   4.775  -0.039  1.00  0.00           C  
HETATM   37  C   UNL     1     -20.080   4.553  -0.064  1.00  0.00           C  
HETATM   38  C   UNL     1     -20.794   5.906  -0.056  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.352  -5.194   1.504  1.00  0.00           C  
HETATM   40  O   UNL     1      -0.286  -3.807   0.138  1.00  0.00           O  
HETATM   41  O   UNL     1      -5.140  -4.366   0.033  1.00  0.00           O  
HETATM   42  O   UNL     1       1.279  -4.176  -1.378  1.00  0.00           O  
HETATM   43  H   UNL     1      10.899   1.786   0.498  1.00  0.00           H  
HETATM   44  H   UNL     1      11.443   0.356   1.408  1.00  0.00           H  
HETATM   45  H   UNL     1      10.122   0.319  -1.344  1.00  0.00           H  
HETATM   46  H   UNL     1      10.666  -1.111  -0.434  1.00  0.00           H  
HETATM   47  H   UNL     1       9.108  -0.533   1.406  1.00  0.00           H  
HETATM   48  H   UNL     1       8.564   0.897   0.497  1.00  0.00           H  
HETATM   49  H   UNL     1       7.787  -0.570  -1.345  1.00  0.00           H  
HETATM   50  H   UNL     1       8.332  -2.000  -0.436  1.00  0.00           H  
HETATM   51  H   UNL     1       6.773  -1.423   1.404  1.00  0.00           H  
HETATM   52  H   UNL     1       6.229   0.007   0.495  1.00  0.00           H  
HETATM   53  H   UNL     1       5.453  -1.460  -1.347  1.00  0.00           H  
HETATM   54  H   UNL     1       5.997  -2.890  -0.438  1.00  0.00           H  
HETATM   55  H   UNL     1       4.438  -2.312   1.403  1.00  0.00           H  
HETATM   56  H   UNL     1       3.894  -0.882   0.493  1.00  0.00           H  
HETATM   57  H   UNL     1       3.118  -2.350  -1.349  1.00  0.00           H  
HETATM   58  H   UNL     1       3.662  -3.780  -0.440  1.00  0.00           H  
HETATM   59  H   UNL     1       2.104  -3.202   1.401  1.00  0.00           H  
HETATM   60  H   UNL     1       1.560  -1.772   0.491  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.193  -5.409  -0.467  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.927  -1.462   0.964  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.902  -1.438  -0.816  1.00  0.00           H  
HETATM   64  H   UNL     1      22.670   4.970   0.203  1.00  0.00           H  
HETATM   65  H   UNL     1      22.340   3.337  -0.425  1.00  0.00           H  
HETATM   66  H   UNL     1      21.796   4.767  -1.334  1.00  0.00           H  
HETATM   67  H   UNL     1      20.782   3.915   1.416  1.00  0.00           H  
HETATM   68  H   UNL     1      20.238   5.345   0.506  1.00  0.00           H  
HETATM   69  H   UNL     1      19.461   3.878  -1.336  1.00  0.00           H  
HETATM   70  H   UNL     1      20.005   2.447  -0.426  1.00  0.00           H  
HETATM   71  H   UNL     1      18.447   3.025   1.414  1.00  0.00           H  
HETATM   72  H   UNL     1      17.903   4.455   0.504  1.00  0.00           H  
HETATM   73  H   UNL     1      17.126   2.988  -1.338  1.00  0.00           H  
HETATM   74  H   UNL     1      17.671   1.558  -0.428  1.00  0.00           H  
HETATM   75  H   UNL     1      16.112   2.135   1.412  1.00  0.00           H  
HETATM   76  H   UNL     1      15.568   3.566   0.502  1.00  0.00           H  
HETATM   77  H   UNL     1      14.792   2.098  -1.340  1.00  0.00           H  
HETATM   78  H   UNL     1      15.336   0.668  -0.430  1.00  0.00           H  
HETATM   79  H   UNL     1      13.778   1.246   1.410  1.00  0.00           H  
HETATM   80  H   UNL     1      13.233   2.676   0.500  1.00  0.00           H  
HETATM   81  H   UNL     1      13.001  -0.221  -0.432  1.00  0.00           H  
HETATM   82  H   UNL     1      12.457   1.209  -1.342  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.770  -5.645  -0.721  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.314  -4.215  -1.631  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.985  -2.783  -0.863  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.011  -2.806   0.917  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.155  -0.331   0.947  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.130  -0.307  -0.833  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.213  -1.651  -0.880  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.238  -1.675   0.900  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.383   0.801   0.930  1.00  0.00           H  
HETATM   92  H   UNL     1      -9.358   0.824  -0.850  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.441  -0.520  -0.897  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.466  -0.544   0.883  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.611   1.932   0.913  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.585   1.955  -0.867  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.668   0.611  -0.914  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.694   0.587   0.866  1.00  0.00           H  
HETATM   99  H   UNL     1     -13.838   3.063   0.896  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.813   3.086  -0.884  1.00  0.00           H  
HETATM  101  H   UNL     1     -15.896   1.742  -0.931  1.00  0.00           H  
HETATM  102  H   UNL     1     -15.922   1.719   0.849  1.00  0.00           H  
HETATM  103  H   UNL     1     -16.066   4.194   0.879  1.00  0.00           H  
HETATM  104  H   UNL     1     -16.041   4.217  -0.901  1.00  0.00           H  
HETATM  105  H   UNL     1     -18.124   2.873  -0.948  1.00  0.00           H  
HETATM  106  H   UNL     1     -18.149   2.850   0.832  1.00  0.00           H  
HETATM  107  H   UNL     1     -18.294   5.325   0.862  1.00  0.00           H  
HETATM  108  H   UNL     1     -18.268   5.348  -0.918  1.00  0.00           H  
HETATM  109  H   UNL     1     -20.352   4.004  -0.965  1.00  0.00           H  
HETATM  110  H   UNL     1     -20.377   3.981   0.815  1.00  0.00           H  
HETATM  111  H   UNL     1     -20.522   6.456   0.845  1.00  0.00           H  
HETATM  112  H   UNL     1     -20.496   6.479  -0.934  1.00  0.00           H  
HETATM  113  H   UNL     1     -21.872   5.748  -0.074  1.00  0.00           H  
HETATM  114  H   UNL     1      -1.704  -4.498   2.037  1.00  0.00           H  
HETATM  115  H   UNL     1      -3.319  -5.245   2.004  1.00  0.00           H  
HETATM  116  H   UNL     1      -1.894  -6.184   1.498  1.00  0.00           H  
CONECT    1   22    2   43   44                                       
CONECT    2    1    3   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   40    9   42   42                                       
CONECT   11   39   12   23   61                                       
CONECT   12   24   11                                                 
CONECT   13   24   25   62   63                                       
CONECT   14   15   64   65   66                                       
CONECT   15   14   16   67   68                                       
CONECT   16   15   17   69   70                                       
CONECT   17   16   18   71   72                                       
CONECT   18   17   19   73   74                                       
CONECT   19   18   20   75   76                                       
CONECT   20   19   21   77   78                                       
CONECT   21   20   22   79   80                                       
CONECT   22   21    1   81   82                                       
CONECT   23   11   40   83   84                                       
CONECT   24   41   41   12   13                                       
CONECT   25   13   26   85   86                                       
CONECT   26   25   27   87   88                                       
CONECT   27   26   28   89   90                                       
CONECT   28   27   29   91   92                                       
CONECT   29   28   30   93   94                                       
CONECT   30   29   31   95   96                                       
CONECT   31   30   32   97   98                                       
CONECT   32   31   33   99  100                                       
CONECT   33   32   34  101  102                                       
CONECT   34   33   35  103  104                                       
CONECT   35   36   34  105  106                                       
CONECT   36   37   35  107  108                                       
CONECT   37   38   36  109  110                                       
CONECT   38   37  111  112  113                                       
CONECT   39   11  114  115  116                                       
CONECT   40   23   10                                                 
CONECT   41   24   24                                                 
CONECT   42   10   10                                                 
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   11                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   15                                                      
CONECT   69   16                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   20                                                      
CONECT   79   21                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   23                                                      
CONECT   84   23                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   37                                                      
CONECT  110   37                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   39                                                      
CONECT  116   39                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
