COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      15.450   3.497   0.720  1.00  0.00           C  
HETATM    2  C   UNL     1      14.497   2.912  -0.324  1.00  0.00           C  
HETATM    3  C   UNL     1      13.086   3.462  -0.094  1.00  0.00           C  
HETATM    4  C   UNL     1      12.130   2.819  -1.105  1.00  0.00           C  
HETATM    5  C   UNL     1      12.207   1.301  -0.976  1.00  0.00           C  
HETATM    6  C   UNL     1      11.290   0.635  -2.019  1.00  0.00           C  
HETATM    7  C   UNL     1      10.719  -0.598  -1.286  1.00  0.00           C  
HETATM    8  C   UNL     1      11.344  -0.506   0.143  1.00  0.00           C  
HETATM    9  O   UNL     1      11.695   0.884   0.301  1.00  0.00           O  
HETATM   10  C   UNL     1      10.205  -0.842   1.136  1.00  0.00           C  
HETATM   11  C   UNL     1       9.012  -1.227   0.269  1.00  0.00           C  
HETATM   12  C   UNL     1       9.225  -0.393  -1.023  1.00  0.00           C  
HETATM   13  C   UNL     1       8.288  -0.955  -2.077  1.00  0.00           C  
HETATM   14  C   UNL     1       6.850  -0.718  -1.588  1.00  0.00           C  
HETATM   15  C   UNL     1       6.611  -1.367  -0.229  1.00  0.00           C  
HETATM   16  C   UNL     1       7.638  -0.888   0.810  1.00  0.00           C  
HETATM   17  C   UNL     1       7.390  -1.615   2.132  1.00  0.00           C  
HETATM   18  C   UNL     1       5.978  -1.300   2.630  1.00  0.00           C  
HETATM   19  C   UNL     1       4.954  -1.768   1.594  1.00  0.00           C  
HETATM   20  C   UNL     1       5.202  -1.045   0.268  1.00  0.00           C  
HETATM   21  C   UNL     1       4.177  -1.516  -0.766  1.00  0.00           C  
HETATM   22  C   UNL     1       2.765  -1.202  -0.268  1.00  0.00           C  
HETATM   23  C   UNL     1       2.519  -1.925   1.058  1.00  0.00           C  
HETATM   24  C   UNL     1       3.543  -1.453   2.093  1.00  0.00           C  
HETATM   25  O   UNL     1       1.201  -1.630   1.523  1.00  0.00           O  
HETATM   26  C   UNL     1       0.375  -2.784   1.698  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.910  -2.386   2.429  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.816  -3.614   2.559  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.093  -4.180   1.163  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.762  -4.509   0.481  1.00  0.00           C  
HETATM   31  O   UNL     1       0.044  -3.331   0.420  1.00  0.00           O  
HETATM   32  C   UNL     1      -1.028  -5.019  -0.937  1.00  0.00           C  
HETATM   33  O   UNL     1       0.202  -5.433  -1.533  1.00  0.00           O  
HETATM   34  O   UNL     1      -2.801  -3.211   0.387  1.00  0.00           O  
HETATM   35  C   UNL     1      -4.222  -3.351   0.440  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.880  -2.123  -0.196  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.400  -2.307  -0.190  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.750  -3.603  -0.929  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.020  -4.773  -0.265  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.613  -4.524  -0.277  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.317  -6.062  -1.035  1.00  0.00           C  
HETATM   42  O   UNL     1      -5.732  -7.171  -0.349  1.00  0.00           O  
HETATM   43  O   UNL     1      -8.160  -3.822  -0.868  1.00  0.00           O  
HETATM   44  O   UNL     1      -7.019  -1.200  -0.848  1.00  0.00           O  
HETATM   45  C   UNL     1      -8.324  -0.887  -0.357  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.836   0.383  -1.041  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.258   0.678  -0.555  1.00  0.00           C  
HETATM   48  C   UNL     1     -11.146  -0.536  -0.842  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.545  -1.770  -0.166  1.00  0.00           C  
HETATM   50  O   UNL     1      -9.212  -1.970  -0.640  1.00  0.00           O  
HETATM   51  O   UNL     1     -12.458  -0.300  -0.328  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.771   1.820  -1.243  1.00  0.00           O  
HETATM   53  O   UNL     1      -7.981   1.481  -0.712  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.537  -0.956   0.554  1.00  0.00           O  
HETATM   55  C   UNL     1      -4.132   0.153  -0.251  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.044   1.410   0.619  1.00  0.00           C  
HETATM   57  C   UNL     1      -3.552   2.581  -0.237  1.00  0.00           C  
HETATM   58  C   UNL     1      -2.203   2.210  -0.862  1.00  0.00           C  
HETATM   59  C   UNL     1      -2.363   0.923  -1.675  1.00  0.00           C  
HETATM   60  O   UNL     1      -2.852  -0.117  -0.826  1.00  0.00           O  
HETATM   61  C   UNL     1      -1.007   0.513  -2.254  1.00  0.00           C  
HETATM   62  O   UNL     1      -1.170  -0.642  -3.079  1.00  0.00           O  
HETATM   63  O   UNL     1      -1.238   2.006   0.171  1.00  0.00           O  
HETATM   64  O   UNL     1      -3.396   3.740   0.583  1.00  0.00           O  
HETATM   65  C   UNL     1      -4.569   4.552   0.671  1.00  0.00           C  
HETATM   66  C   UNL     1      -4.328   5.691   1.666  1.00  0.00           C  
HETATM   67  C   UNL     1      -5.567   6.590   1.709  1.00  0.00           C  
HETATM   68  C   UNL     1      -5.861   7.105   0.297  1.00  0.00           C  
HETATM   69  C   UNL     1      -6.042   5.911  -0.645  1.00  0.00           C  
HETATM   70  O   UNL     1      -4.867   5.100  -0.615  1.00  0.00           O  
HETATM   71  C   UNL     1      -6.277   6.417  -2.070  1.00  0.00           C  
HETATM   72  O   UNL     1      -6.561   5.310  -2.927  1.00  0.00           O  
HETATM   73  O   UNL     1      -7.057   7.887   0.312  1.00  0.00           O  
HETATM   74  O   UNL     1      -5.324   7.697   2.580  1.00  0.00           O  
HETATM   75  O   UNL     1      -4.087   5.147   2.965  1.00  0.00           O  
HETATM   76  O   UNL     1      -5.335   1.716   1.149  1.00  0.00           O  
HETATM   77  O   UNL     1      -3.048  -3.236   3.175  1.00  0.00           O  
HETATM   78  O   UNL     1      -0.585  -1.892   3.730  1.00  0.00           O  
HETATM   79  O   UNL     1       1.810  -1.643  -1.235  1.00  0.00           O  
HETATM   80  C   UNL     1       5.065   0.464   0.476  1.00  0.00           C  
HETATM   81  C   UNL     1       8.928   1.085  -0.760  1.00  0.00           C  
HETATM   82  O   UNL     1       9.890   0.303   1.932  1.00  0.00           O  
HETATM   83  C   UNL     1      12.097   0.204  -3.245  1.00  0.00           C  
HETATM   84  O   UNL     1      13.546   0.847  -1.143  1.00  0.00           O  
HETATM   85  C   UNL     1      14.471   1.387  -0.195  1.00  0.00           C  
HETATM   86  H   UNL     1      16.453   3.102   0.558  1.00  0.00           H  
HETATM   87  H   UNL     1      15.469   4.583   0.627  1.00  0.00           H  
HETATM   88  H   UNL     1      15.108   3.223   1.718  1.00  0.00           H  
HETATM   89  H   UNL     1      14.838   3.187  -1.323  1.00  0.00           H  
HETATM   90  H   UNL     1      12.762   3.222   0.918  1.00  0.00           H  
HETATM   91  H   UNL     1      13.089   4.543  -0.231  1.00  0.00           H  
HETATM   92  H   UNL     1      11.111   3.151  -0.905  1.00  0.00           H  
HETATM   93  H   UNL     1      12.417   3.114  -2.115  1.00  0.00           H  
HETATM   94  H   UNL     1      10.486   1.313  -2.308  1.00  0.00           H  
HETATM   95  H   UNL     1      10.935  -1.534  -1.801  1.00  0.00           H  
HETATM   96  H   UNL     1      12.198  -1.174   0.261  1.00  0.00           H  
HETATM   97  H   UNL     1      10.495  -1.676   1.774  1.00  0.00           H  
HETATM   98  H   UNL     1       9.059  -2.289   0.031  1.00  0.00           H  
HETATM   99  H   UNL     1       8.446  -0.441  -3.025  1.00  0.00           H  
HETATM  100  H   UNL     1       8.466  -2.023  -2.199  1.00  0.00           H  
HETATM  101  H   UNL     1       6.672   0.355  -1.507  1.00  0.00           H  
HETATM  102  H   UNL     1       6.153  -1.141  -2.311  1.00  0.00           H  
HETATM  103  H   UNL     1       6.710  -2.447  -0.332  1.00  0.00           H  
HETATM  104  H   UNL     1       7.551   0.190   0.944  1.00  0.00           H  
HETATM  105  H   UNL     1       7.491  -2.690   1.980  1.00  0.00           H  
HETATM  106  H   UNL     1       8.119  -1.283   2.872  1.00  0.00           H  
HETATM  107  H   UNL     1       5.802  -1.816   3.574  1.00  0.00           H  
HETATM  108  H   UNL     1       5.878  -0.225   2.780  1.00  0.00           H  
HETATM  109  H   UNL     1       5.054  -2.843   1.446  1.00  0.00           H  
HETATM  110  H   UNL     1       4.352  -1.002  -1.711  1.00  0.00           H  
HETATM  111  H   UNL     1       4.279  -2.592  -0.915  1.00  0.00           H  
HETATM  112  H   UNL     1       2.663  -0.127  -0.120  1.00  0.00           H  
HETATM  113  H   UNL     1       2.621  -3.000   0.910  1.00  0.00           H  
HETATM  114  H   UNL     1       3.368  -1.967   3.037  1.00  0.00           H  
HETATM  115  H   UNL     1       3.441  -0.378   2.240  1.00  0.00           H  
HETATM  116  H   UNL     1       0.911  -3.529   2.285  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.426  -1.610   1.863  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.320  -4.370   3.169  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.692  -5.086   1.250  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.241  -5.277   1.051  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.715  -5.864  -0.896  1.00  0.00           H  
HETATM  122  H   UNL     1      -1.470  -4.220  -1.534  1.00  0.00           H  
HETATM  123  H   UNL     1       0.109  -5.769  -2.435  1.00  0.00           H  
HETATM  124  H   UNL     1      -4.541  -3.437   1.479  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.530  -2.014  -1.223  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.756  -2.366   0.839  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.439  -3.522  -1.971  1.00  0.00           H  
HETATM  128  H   UNL     1      -6.362  -4.877   0.764  1.00  0.00           H  
HETATM  129  H   UNL     1      -7.395  -6.204  -1.103  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.896  -5.991  -2.037  1.00  0.00           H  
HETATM  131  H   UNL     1      -5.880  -8.023  -0.781  1.00  0.00           H  
HETATM  132  H   UNL     1      -8.453  -4.627  -1.316  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.278  -0.726   0.720  1.00  0.00           H  
HETATM  134  H   UNL     1      -8.843   0.237  -2.121  1.00  0.00           H  
HETATM  135  H   UNL     1     -10.243   0.875   0.517  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.201  -0.700  -1.919  1.00  0.00           H  
HETATM  137  H   UNL     1     -10.528  -1.621   0.914  1.00  0.00           H  
HETATM  138  H   UNL     1     -11.150  -2.646  -0.402  1.00  0.00           H  
HETATM  139  H   UNL     1     -13.075  -1.030  -0.475  1.00  0.00           H  
HETATM  140  H   UNL     1     -11.670   2.065  -0.984  1.00  0.00           H  
HETATM  141  H   UNL     1      -7.062   1.360  -0.988  1.00  0.00           H  
HETATM  142  H   UNL     1      -4.862   0.312  -1.045  1.00  0.00           H  
HETATM  143  H   UNL     1      -3.344   1.238   1.437  1.00  0.00           H  
HETATM  144  H   UNL     1      -4.275   2.785  -1.026  1.00  0.00           H  
HETATM  145  H   UNL     1      -1.872   3.016  -1.517  1.00  0.00           H  
HETATM  146  H   UNL     1      -3.069   1.092  -2.488  1.00  0.00           H  
HETATM  147  H   UNL     1      -0.604   1.332  -2.850  1.00  0.00           H  
HETATM  148  H   UNL     1      -0.319   0.284  -1.440  1.00  0.00           H  
HETATM  149  H   UNL     1      -0.341  -0.997  -3.426  1.00  0.00           H  
HETATM  150  H   UNL     1      -0.339   1.858  -0.154  1.00  0.00           H  
HETATM  151  H   UNL     1      -5.407   3.944   1.010  1.00  0.00           H  
HETATM  152  H   UNL     1      -3.464   6.275   1.348  1.00  0.00           H  
HETATM  153  H   UNL     1      -6.420   6.018   2.074  1.00  0.00           H  
HETATM  154  H   UNL     1      -5.028   7.718  -0.048  1.00  0.00           H  
HETATM  155  H   UNL     1      -6.900   5.321  -0.323  1.00  0.00           H  
HETATM  156  H   UNL     1      -7.120   7.108  -2.076  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.384   6.931  -2.425  1.00  0.00           H  
HETATM  158  H   UNL     1      -6.721   5.557  -3.849  1.00  0.00           H  
HETATM  159  H   UNL     1      -7.015   8.658   0.894  1.00  0.00           H  
HETATM  160  H   UNL     1      -5.124   7.444   3.492  1.00  0.00           H  
HETATM  161  H   UNL     1      -3.318   4.562   3.010  1.00  0.00           H  
HETATM  162  H   UNL     1      -5.711   1.014   1.699  1.00  0.00           H  
HETATM  163  H   UNL     1      -2.947  -2.862   4.061  1.00  0.00           H  
HETATM  164  H   UNL     1      -0.009  -1.115   3.724  1.00  0.00           H  
HETATM  165  H   UNL     1       0.897  -1.403  -1.024  1.00  0.00           H  
HETATM  166  H   UNL     1       5.243   0.979  -0.469  1.00  0.00           H  
HETATM  167  H   UNL     1       4.060   0.693   0.830  1.00  0.00           H  
HETATM  168  H   UNL     1       5.794   0.797   1.214  1.00  0.00           H  
HETATM  169  H   UNL     1       9.068   1.653  -1.680  1.00  0.00           H  
HETATM  170  H   UNL     1       7.898   1.194  -0.419  1.00  0.00           H  
HETATM  171  H   UNL     1       9.606   1.461   0.006  1.00  0.00           H  
HETATM  172  H   UNL     1      10.624   0.618   2.476  1.00  0.00           H  
HETATM  173  H   UNL     1      12.881  -0.488  -2.938  1.00  0.00           H  
HETATM  174  H   UNL     1      11.437  -0.288  -3.960  1.00  0.00           H  
HETATM  175  H   UNL     1      12.547   1.081  -3.710  1.00  0.00           H  
HETATM  176  H   UNL     1      15.466   0.988  -0.390  1.00  0.00           H  
HETATM  177  H   UNL     1      14.160   1.112   0.813  1.00  0.00           H  
CONECT    1    2   86   87   88                                       
CONECT    2    1   85    3   89                                       
CONECT    3    2    4   90   91                                       
CONECT    4    3    5   92   93                                       
CONECT    5   84    4    9    6                                       
CONECT    6    5   83    7   94                                       
CONECT    7    8    6   12   95                                       
CONECT    8    9   10    7   96                                       
CONECT    9    5    8                                                 
CONECT   10    8   82   11   97                                       
CONECT   11   10   12   16   98                                       
CONECT   12    7   11   81   13                                       
CONECT   13   12   14   99  100                                       
CONECT   14   13   15  101  102                                       
CONECT   15   16   14   20  103                                       
CONECT   16   11   17   15  104                                       
CONECT   17   16   18  105  106                                       
CONECT   18   17   19  107  108                                       
CONECT   19   18   20   24  109                                       
CONECT   20   15   19   21   80                                       
CONECT   21   20   22  110  111                                       
CONECT   22   21   23   79  112                                       
CONECT   23   24   22   25  113                                       
CONECT   24   19   23  114  115                                       
CONECT   25   23   26                                                 
CONECT   26   31   25   27  116                                       
CONECT   27   26   28   78  117                                       
CONECT   28   29   27   77  118                                       
CONECT   29   30   28   34  119                                       
CONECT   30   32   31   29  120                                       
CONECT   31   30   26                                                 
CONECT   32   33   30  121  122                                       
CONECT   33   32  123                                                 
CONECT   34   29   35                                                 
CONECT   35   40   34   36  124                                       
CONECT   36   35   37   54  125                                       
CONECT   37   38   36   44  126                                       
CONECT   38   39   43   37  127                                       
CONECT   39   41   40   38  128                                       
CONECT   40   39   35                                                 
CONECT   41   39   42  129  130                                       
CONECT   42   41  131                                                 
CONECT   43   38  132                                                 
CONECT   44   37   45                                                 
CONECT   45   50   44   46  133                                       
CONECT   46   45   47   53  134                                       
CONECT   47   48   46   52  135                                       
CONECT   48   49   51   47  136                                       
CONECT   49   50   48  137  138                                       
CONECT   50   49   45                                                 
CONECT   51   48  139                                                 
CONECT   52   47  140                                                 
CONECT   53   46  141                                                 
CONECT   54   36   55                                                 
CONECT   55   54   56   60  142                                       
CONECT   56   76   55   57  143                                       
CONECT   57   56   64   58  144                                       
CONECT   58   63   57   59  145                                       
CONECT   59   60   58   61  146                                       
CONECT   60   55   59                                                 
CONECT   61   62   59  147  148                                       
CONECT   62   61  149                                                 
CONECT   63   58  150                                                 
CONECT   64   57   65                                                 
CONECT   65   64   66   70  151                                       
CONECT   66   75   65   67  152                                       
CONECT   67   66   74   68  153                                       
CONECT   68   67   69   73  154                                       
CONECT   69   70   68   71  155                                       
CONECT   70   65   69                                                 
CONECT   71   69   72  156  157                                       
CONECT   72   71  158                                                 
CONECT   73   68  159                                                 
CONECT   74   67  160                                                 
CONECT   75   66  161                                                 
CONECT   76   56  162                                                 
CONECT   77   28  163                                                 
CONECT   78   27  164                                                 
CONECT   79   22  165                                                 
CONECT   80   20  166  167  168                                       
CONECT   81   12  169  170  171                                       
CONECT   82   10  172                                                 
CONECT   83    6  173  174  175                                       
CONECT   84   85    5                                                 
CONECT   85    2   84  176  177                                       
CONECT   86    1                                                      
CONECT   87    1                                                      
CONECT   88    1                                                      
CONECT   89    2                                                      
CONECT   90    3                                                      
CONECT   91    3                                                      
CONECT   92    4                                                      
CONECT   93    4                                                      
CONECT   94    6                                                      
CONECT   95    7                                                      
CONECT   96    8                                                      
CONECT   97   10                                                      
CONECT   98   11                                                      
CONECT   99   13                                                      
CONECT  100   13                                                      
CONECT  101   14                                                      
CONECT  102   14                                                      
CONECT  103   15                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   17                                                      
CONECT  107   18                                                      
CONECT  108   18                                                      
CONECT  109   19                                                      
CONECT  110   21                                                      
CONECT  111   21                                                      
CONECT  112   22                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   24                                                      
CONECT  116   26                                                      
CONECT  117   27                                                      
CONECT  118   28                                                      
CONECT  119   29                                                      
CONECT  120   30                                                      
CONECT  121   32                                                      
CONECT  122   32                                                      
CONECT  123   33                                                      
CONECT  124   35                                                      
CONECT  125   36                                                      
CONECT  126   37                                                      
CONECT  127   38                                                      
CONECT  128   39                                                      
CONECT  129   41                                                      
CONECT  130   41                                                      
CONECT  131   42                                                      
CONECT  132   43                                                      
CONECT  133   45                                                      
CONECT  134   46                                                      
CONECT  135   47                                                      
CONECT  136   48                                                      
CONECT  137   49                                                      
CONECT  138   49                                                      
CONECT  139   51                                                      
CONECT  140   52                                                      
CONECT  141   53                                                      
CONECT  142   55                                                      
CONECT  143   56                                                      
CONECT  144   57                                                      
CONECT  145   58                                                      
CONECT  146   59                                                      
CONECT  147   61                                                      
CONECT  148   61                                                      
CONECT  149   62                                                      
CONECT  150   63                                                      
CONECT  151   65                                                      
CONECT  152   66                                                      
CONECT  153   67                                                      
CONECT  154   68                                                      
CONECT  155   69                                                      
CONECT  156   71                                                      
CONECT  157   71                                                      
CONECT  158   72                                                      
CONECT  159   73                                                      
CONECT  160   74                                                      
CONECT  161   75                                                      
CONECT  162   76                                                      
CONECT  163   77                                                      
CONECT  164   78                                                      
CONECT  165   79                                                      
CONECT  166   80                                                      
CONECT  167   80                                                      
CONECT  168   80                                                      
CONECT  169   81                                                      
CONECT  170   81                                                      
CONECT  171   81                                                      
CONECT  172   82                                                      
CONECT  173   83                                                      
CONECT  174   83                                                      
CONECT  175   83                                                      
CONECT  176   85                                                      
CONECT  177   85                                                      
MASTER        0    0    0    0    0    0    0    0  177    0  177    0
END
