COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.076   0.361   0.377  1.00  0.00           C  
HETATM    2  C   UNL     1       0.016  -1.084  -0.041  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.189  -1.852   0.507  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.469  -1.323  -0.142  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.674  -2.091   0.407  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.954  -1.562  -0.243  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.159  -2.330   0.306  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.439  -1.801  -0.343  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.644  -2.569   0.206  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.924  -2.040  -0.444  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.129  -2.808   0.105  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.409  -2.279  -0.544  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.614  -3.047   0.005  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.894  -2.518  -0.645  1.00  0.00           C  
HETATM   15  C   UNL     1     -16.099  -3.286  -0.096  1.00  0.00           C  
HETATM   16  C   UNL     1     -17.379  -2.757  -0.745  1.00  0.00           C  
HETATM   17  C   UNL     1       1.305  -1.694   0.512  1.00  0.00           C  
HETATM   18  C   UNL     1       2.509  -0.927  -0.036  1.00  0.00           C  
HETATM   19  C   UNL     1       3.800  -1.612   0.416  1.00  0.00           C  
HETATM   20  C   UNL     1       5.004  -0.844  -0.132  1.00  0.00           C  
HETATM   21  C   UNL     1       6.295  -1.529   0.320  1.00  0.00           C  
HETATM   22  C   UNL     1       7.500  -0.762  -0.228  1.00  0.00           C  
HETATM   23  C   UNL     1       8.791  -1.447   0.224  1.00  0.00           C  
HETATM   24  C   UNL     1       9.995  -0.679  -0.324  1.00  0.00           C  
HETATM   25  C   UNL     1      11.286  -1.364   0.128  1.00  0.00           C  
HETATM   26  C   UNL     1      12.490  -0.597  -0.421  1.00  0.00           C  
HETATM   27  C   UNL     1      13.781  -1.282   0.032  1.00  0.00           C  
HETATM   28  C   UNL     1      14.986  -0.514  -0.516  1.00  0.00           C  
HETATM   29  C   UNL     1      16.276  -1.199  -0.064  1.00  0.00           C  
HETATM   30  C   UNL     1      17.481  -0.432  -0.613  1.00  0.00           C  
HETATM   31  C   UNL     1      18.772  -1.117  -0.160  1.00  0.00           C  
HETATM   32  C   UNL     1      19.976  -0.349  -0.709  1.00  0.00           C  
HETATM   33  O   UNL     1       0.799   0.852   1.049  1.00  0.00           O  
HETATM   34  O   UNL     1      -1.128   1.104  -0.001  1.00  0.00           O  
HETATM   35  C   UNL     1      -1.151   2.487   0.439  1.00  0.00           C  
HETATM   36  O   UNL     1       1.297  -1.611   1.939  1.00  0.00           O  
HETATM   37  C   UNL     1      -4.809   3.112   0.068  1.00  0.00           C  
HETATM   38  O   UNL     1      -4.918   2.963  -1.349  1.00  0.00           O  
HETATM   39  C   UNL     1      -4.869   4.598   0.431  1.00  0.00           C  
HETATM   40  O   UNL     1      -6.087   5.161  -0.060  1.00  0.00           O  
HETATM   41  C   UNL     1      -3.677   5.320  -0.204  1.00  0.00           C  
HETATM   42  O   UNL     1      -3.684   6.693   0.190  1.00  0.00           O  
HETATM   43  C   UNL     1      -2.380   4.657   0.271  1.00  0.00           C  
HETATM   44  O   UNL     1      -1.264   5.276  -0.371  1.00  0.00           O  
HETATM   45  C   UNL     1      -2.416   3.168  -0.086  1.00  0.00           C  
HETATM   46  O   UNL     1      -3.566   2.565   0.511  1.00  0.00           O  
HETATM   47  H   UNL     1       0.022  -1.147  -1.130  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.078  -2.912   0.280  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.246  -1.715   1.587  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.580  -0.263   0.085  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.412  -1.460  -1.222  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.563  -3.151   0.180  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.730  -1.954   1.487  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.065  -0.502  -0.016  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.898  -1.699  -1.322  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.048  -3.390   0.079  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.215  -2.193   1.386  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.550  -0.741  -0.116  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.383  -1.938  -1.423  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.533  -3.629  -0.021  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.700  -2.432   1.286  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.035  -0.980  -0.217  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.868  -2.177  -1.523  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.017  -3.868  -0.122  1.00  0.00           H  
HETATM   65  H   UNL     1     -11.186  -2.671   1.185  1.00  0.00           H  
HETATM   66  H   UNL     1     -12.521  -1.219  -0.317  1.00  0.00           H  
HETATM   67  H   UNL     1     -12.352  -2.416  -1.624  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.502  -4.107  -0.222  1.00  0.00           H  
HETATM   69  H   UNL     1     -13.670  -2.910   1.084  1.00  0.00           H  
HETATM   70  H   UNL     1     -15.005  -1.458  -0.418  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.837  -2.655  -1.724  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.988  -4.346  -0.323  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.156  -3.149   0.984  1.00  0.00           H  
HETATM   74  H   UNL     1     -18.237  -3.304  -0.354  1.00  0.00           H  
HETATM   75  H   UNL     1     -17.490  -1.697  -0.518  1.00  0.00           H  
HETATM   76  H   UNL     1     -17.323  -2.894  -1.825  1.00  0.00           H  
HETATM   77  H   UNL     1       1.371  -2.739   0.209  1.00  0.00           H  
HETATM   78  H   UNL     1       2.467  -0.914  -1.126  1.00  0.00           H  
HETATM   79  H   UNL     1       2.490   0.096   0.339  1.00  0.00           H  
HETATM   80  H   UNL     1       3.842  -1.624   1.505  1.00  0.00           H  
HETATM   81  H   UNL     1       3.819  -2.635   0.040  1.00  0.00           H  
HETATM   82  H   UNL     1       4.962  -0.832  -1.222  1.00  0.00           H  
HETATM   83  H   UNL     1       4.985   0.179   0.243  1.00  0.00           H  
HETATM   84  H   UNL     1       6.338  -1.542   1.409  1.00  0.00           H  
HETATM   85  H   UNL     1       6.315  -2.552  -0.056  1.00  0.00           H  
HETATM   86  H   UNL     1       7.457  -0.749  -1.318  1.00  0.00           H  
HETATM   87  H   UNL     1       7.480   0.261   0.147  1.00  0.00           H  
HETATM   88  H   UNL     1       8.833  -1.459   1.313  1.00  0.00           H  
HETATM   89  H   UNL     1       8.810  -2.470  -0.152  1.00  0.00           H  
HETATM   90  H   UNL     1       9.953  -0.667  -1.414  1.00  0.00           H  
HETATM   91  H   UNL     1       9.976   0.344   0.051  1.00  0.00           H  
HETATM   92  H   UNL     1      11.328  -1.377   1.217  1.00  0.00           H  
HETATM   93  H   UNL     1      11.305  -2.387  -0.248  1.00  0.00           H  
HETATM   94  H   UNL     1      12.448  -0.585  -1.510  1.00  0.00           H  
HETATM   95  H   UNL     1      12.471   0.426  -0.045  1.00  0.00           H  
HETATM   96  H   UNL     1      13.823  -1.294   1.121  1.00  0.00           H  
HETATM   97  H   UNL     1      13.800  -2.305  -0.344  1.00  0.00           H  
HETATM   98  H   UNL     1      14.943  -0.502  -1.606  1.00  0.00           H  
HETATM   99  H   UNL     1      14.966   0.509  -0.141  1.00  0.00           H  
HETATM  100  H   UNL     1      16.319  -1.212   1.025  1.00  0.00           H  
HETATM  101  H   UNL     1      16.296  -2.223  -0.440  1.00  0.00           H  
HETATM  102  H   UNL     1      17.438  -0.420  -1.702  1.00  0.00           H  
HETATM  103  H   UNL     1      17.461   0.591  -0.237  1.00  0.00           H  
HETATM  104  H   UNL     1      18.814  -1.129   0.929  1.00  0.00           H  
HETATM  105  H   UNL     1      18.791  -2.140  -0.536  1.00  0.00           H  
HETATM  106  H   UNL     1      20.896  -0.837  -0.386  1.00  0.00           H  
HETATM  107  H   UNL     1      19.934  -0.337  -1.798  1.00  0.00           H  
HETATM  108  H   UNL     1      19.957   0.674  -0.333  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.145   2.522   1.528  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.273   3.005   0.053  1.00  0.00           H  
HETATM  111  H   UNL     1       1.239  -0.709   2.280  1.00  0.00           H  
HETATM  112  H   UNL     1      -5.631   2.586   0.553  1.00  0.00           H  
HETATM  113  H   UNL     1      -4.887   2.045  -1.651  1.00  0.00           H  
HETATM  114  H   UNL     1      -4.827   4.710   1.515  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.884   4.748   0.299  1.00  0.00           H  
HETATM  116  H   UNL     1      -3.746   5.251  -1.290  1.00  0.00           H  
HETATM  117  H   UNL     1      -4.481   7.174  -0.073  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.288   4.770   1.351  1.00  0.00           H  
HETATM  119  H   UNL     1      -1.183   6.223  -0.192  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.468   3.056  -1.169  1.00  0.00           H  
CONECT    1   34   33   33    2                                       
CONECT    2    1    3   17   47                                       
CONECT    3    4    2   48   49                                       
CONECT    4    3    5   50   51                                       
CONECT    5    4    6   52   53                                       
CONECT    6    5    7   54   55                                       
CONECT    7    6    8   56   57                                       
CONECT    8    7    9   58   59                                       
CONECT    9    8   10   60   61                                       
CONECT   10    9   11   62   63                                       
CONECT   11   10   12   64   65                                       
CONECT   12   11   13   66   67                                       
CONECT   13   12   14   68   69                                       
CONECT   14   13   15   70   71                                       
CONECT   15   14   16   72   73                                       
CONECT   16   15   74   75   76                                       
CONECT   17    2   36   18   77                                       
CONECT   18   17   19   78   79                                       
CONECT   19   18   20   80   81                                       
CONECT   20   19   21   82   83                                       
CONECT   21   20   22   84   85                                       
CONECT   22   21   23   86   87                                       
CONECT   23   22   24   88   89                                       
CONECT   24   23   25   90   91                                       
CONECT   25   24   26   92   93                                       
CONECT   26   25   27   94   95                                       
CONECT   27   28   26   96   97                                       
CONECT   28   27   29   98   99                                       
CONECT   29   28   30  100  101                                       
CONECT   30   31   29  102  103                                       
CONECT   31   32   30  104  105                                       
CONECT   32   31  106  107  108                                       
CONECT   33    1    1                                                 
CONECT   34   35    1                                                 
CONECT   35   45   34  109  110                                       
CONECT   36   17  111                                                 
CONECT   37   38   39   46  112                                       
CONECT   38   37  113                                                 
CONECT   39   40   41   37  114                                       
CONECT   40   39  115                                                 
CONECT   41   42   39   43  116                                       
CONECT   42   41  117                                                 
CONECT   43   44   41   45  118                                       
CONECT   44   43  119                                                 
CONECT   45   43   35   46  120                                       
CONECT   46   45   37                                                 
CONECT   47    2                                                      
CONECT   48    3                                                      
CONECT   49    3                                                      
CONECT   50    4                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    7                                                      
CONECT   57    7                                                      
CONECT   58    8                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   15                                                      
CONECT   73   15                                                      
CONECT   74   16                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   18                                                      
CONECT   79   18                                                      
CONECT   80   19                                                      
CONECT   81   19                                                      
CONECT   82   20                                                      
CONECT   83   20                                                      
CONECT   84   21                                                      
CONECT   85   21                                                      
CONECT   86   22                                                      
CONECT   87   22                                                      
CONECT   88   23                                                      
CONECT   89   23                                                      
CONECT   90   24                                                      
CONECT   91   24                                                      
CONECT   92   25                                                      
CONECT   93   25                                                      
CONECT   94   26                                                      
CONECT   95   26                                                      
CONECT   96   27                                                      
CONECT   97   27                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   30                                                      
CONECT  103   30                                                      
CONECT  104   31                                                      
CONECT  105   31                                                      
CONECT  106   32                                                      
CONECT  107   32                                                      
CONECT  108   32                                                      
CONECT  109   35                                                      
CONECT  110   35                                                      
CONECT  111   36                                                      
CONECT  112   37                                                      
CONECT  113   38                                                      
CONECT  114   39                                                      
CONECT  115   40                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   43                                                      
CONECT  119   44                                                      
CONECT  120   45                                                      
MASTER        0    0    0    0    0    0    0    0  120    0  120    0
END
