COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.141   3.722   0.488  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.141   2.207   0.700  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.068   1.602  -0.093  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.488   1.631   0.259  1.00  0.00           C  
HETATM    5  O   UNL     1      -8.544   2.310   0.942  1.00  0.00           O  
HETATM    6  C   UNL     1      -7.540   0.139   0.595  1.00  0.00           C  
HETATM    7  O   UNL     1      -6.484  -0.540  -0.088  1.00  0.00           O  
HETATM    8  C   UNL     1      -8.886  -0.437   0.153  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.988  -1.897   0.601  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.335  -2.473   0.159  1.00  0.00           C  
HETATM   11  C   UNL     1     -10.436  -3.933   0.607  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.783  -4.509   0.165  1.00  0.00           C  
HETATM   13  C   UNL     1     -11.884  -5.969   0.612  1.00  0.00           C  
HETATM   14  C   UNL     1     -13.231  -6.545   0.171  1.00  0.00           C  
HETATM   15  C   UNL     1     -13.333  -8.005   0.618  1.00  0.00           C  
HETATM   16  C   UNL     1     -14.679  -8.581   0.177  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.781 -10.040   0.624  1.00  0.00           C  
HETATM   18  C   UNL     1     -16.128 -10.617   0.183  1.00  0.00           C  
HETATM   19  C   UNL     1     -16.229 -12.076   0.630  1.00  0.00           C  
HETATM   20  C   UNL     1     -17.576 -12.653   0.188  1.00  0.00           C  
HETATM   21  C   UNL     1     -17.677 -14.112   0.636  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.471   5.407  -1.184  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.446   4.012  -0.878  1.00  0.00           O  
HETATM   24  C   UNL     1      -7.043   5.612  -2.589  1.00  0.00           C  
HETATM   25  O   UNL     1      -8.351   5.039  -2.660  1.00  0.00           O  
HETATM   26  C   UNL     1      -6.128   4.928  -3.610  1.00  0.00           C  
HETATM   27  O   UNL     1      -6.615   5.176  -4.930  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.713   5.497  -3.471  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.726   6.891  -3.781  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.230   5.297  -2.032  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.840   5.916  -1.870  1.00  0.00           C  
HETATM   32  O   UNL     1      -5.142   5.931  -1.133  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.816   1.541   0.403  1.00  0.00           C  
HETATM   34  O   UNL     1      -3.579   1.987   1.506  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.712   0.919  -0.412  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.402   0.977   0.375  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.281   0.346  -0.452  1.00  0.00           C  
HETATM   38  C   UNL     1       1.030   0.403   0.335  1.00  0.00           C  
HETATM   39  C   UNL     1       2.151  -0.228  -0.493  1.00  0.00           C  
HETATM   40  C   UNL     1       3.461  -0.170   0.295  1.00  0.00           C  
HETATM   41  C   UNL     1       4.582  -0.802  -0.533  1.00  0.00           C  
HETATM   42  C   UNL     1       5.893  -0.744   0.255  1.00  0.00           C  
HETATM   43  C   UNL     1       7.014  -1.375  -0.573  1.00  0.00           C  
HETATM   44  C   UNL     1       8.324  -1.317   0.215  1.00  0.00           C  
HETATM   45  C   UNL     1       9.445  -1.949  -0.613  1.00  0.00           C  
HETATM   46  C   UNL     1      10.755  -1.891   0.175  1.00  0.00           C  
HETATM   47  C   UNL     1      11.876  -2.523  -0.653  1.00  0.00           C  
HETATM   48  C   UNL     1      13.187  -2.465   0.134  1.00  0.00           C  
HETATM   49  C   UNL     1      14.308  -3.096  -0.694  1.00  0.00           C  
HETATM   50  C   UNL     1      15.618  -3.038   0.094  1.00  0.00           C  
HETATM   51  C   UNL     1      16.739  -3.670  -0.734  1.00  0.00           C  
HETATM   52  C   UNL     1      18.050  -3.612   0.054  1.00  0.00           C  
HETATM   53  C   UNL     1      19.171  -4.244  -0.774  1.00  0.00           C  
HETATM   54  C   UNL     1      20.481  -4.186   0.014  1.00  0.00           C  
HETATM   55  C   UNL     1      21.602  -4.817  -0.814  1.00  0.00           C  
HETATM   56  C   UNL     1      22.912  -4.759  -0.027  1.00  0.00           C  
HETATM   57  C   UNL     1      24.033  -5.391  -0.854  1.00  0.00           C  
HETATM   58  C   UNL     1      25.344  -5.333  -0.067  1.00  0.00           C  
HETATM   59  C   UNL     1      26.465  -5.964  -0.895  1.00  0.00           C  
HETATM   60  N   UNL     1      -2.328   5.621  -0.529  1.00  0.00           N  
HETATM   61  C   UNL     1      -1.112   6.070  -0.158  1.00  0.00           C  
HETATM   62  N   UNL     1      -0.641   5.799   1.075  1.00  0.00           N  
HETATM   63  O   UNL     1      -0.440   6.719  -0.937  1.00  0.00           O  
HETATM   64  C   UNL     1       1.006   6.381   2.772  1.00  0.00           C  
HETATM   65  C   UNL     1       0.059   6.233   3.797  1.00  0.00           C  
HETATM   66  C   UNL     1       0.428   6.446   5.090  1.00  0.00           C  
HETATM   67  C   UNL     1       1.734   6.810   5.413  1.00  0.00           C  
HETATM   68  C   UNL     1       2.678   6.962   4.444  1.00  0.00           C  
HETATM   69  C   UNL     1       2.334   6.750   3.099  1.00  0.00           C  
HETATM   70  C   UNL     1       3.284   6.897   2.073  1.00  0.00           C  
HETATM   71  C   UNL     1       2.923   6.685   0.777  1.00  0.00           C  
HETATM   72  C   UNL     1       1.621   6.322   0.444  1.00  0.00           C  
HETATM   73  C   UNL     1       0.662   6.163   1.420  1.00  0.00           C  
HETATM   74  H   UNL     1      -6.891   4.180   1.133  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.157   4.123   0.733  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.981   1.988   1.756  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.258   1.246  -0.975  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.606   1.765  -0.817  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.461   2.297   1.905  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.422   0.005   1.670  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.525  -0.463  -1.051  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.694   0.139   0.606  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.966  -0.384  -0.932  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.180  -2.473   0.148  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.908  -1.951   1.686  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.142  -1.897   0.612  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.414  -2.420  -0.927  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.629  -4.508   0.154  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.356  -3.986   1.692  1.00  0.00           H  
HETATM   90  H   UNL     1     -12.590  -3.933   0.618  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.863  -4.455  -0.921  1.00  0.00           H  
HETATM   92  H   UNL     1     -11.077  -6.544   0.160  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.805  -6.022   1.698  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.039  -5.969   0.623  1.00  0.00           H  
HETATM   95  H   UNL     1     -13.311  -6.491  -0.915  1.00  0.00           H  
HETATM   96  H   UNL     1     -12.525  -8.580   0.166  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.253  -8.058   1.704  1.00  0.00           H  
HETATM   98  H   UNL     1     -15.487  -8.005   0.629  1.00  0.00           H  
HETATM   99  H   UNL     1     -14.759  -8.527  -0.909  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.974 -10.616   0.172  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.701 -10.094   1.710  1.00  0.00           H  
HETATM  102  H   UNL     1     -16.935 -10.041   0.635  1.00  0.00           H  
HETATM  103  H   UNL     1     -16.208 -10.563  -0.903  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.422 -12.652   0.177  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.149 -12.130   1.716  1.00  0.00           H  
HETATM  106  H   UNL     1     -18.383 -12.077   0.641  1.00  0.00           H  
HETATM  107  H   UNL     1     -17.656 -12.599  -0.897  1.00  0.00           H  
HETATM  108  H   UNL     1     -17.598 -14.166   1.721  1.00  0.00           H  
HETATM  109  H   UNL     1     -18.637 -14.523   0.321  1.00  0.00           H  
HETATM  110  H   UNL     1     -16.870 -14.688   0.183  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.095   5.928  -0.458  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.101   6.678  -2.808  1.00  0.00           H  
HETATM  113  H   UNL     1      -8.982   5.423  -2.036  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.110   3.855  -3.422  1.00  0.00           H  
HETATM  115  H   UNL     1      -7.511   4.847  -5.087  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.043   4.977  -4.156  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.027   7.092  -4.678  1.00  0.00           H  
HETATM  118  H   UNL     1      -4.181   4.231  -1.809  1.00  0.00           H  
HETATM  119  H   UNL     1      -2.166   5.496  -2.616  1.00  0.00           H  
HETATM  120  H   UNL     1      -2.905   6.996  -2.004  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.961  -0.120  -0.628  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.598   1.467  -1.347  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.153   2.016   0.591  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.515   0.429   1.311  1.00  0.00           H  
HETATM  125  H   UNL     1      -0.529  -0.693  -0.668  1.00  0.00           H  
HETATM  126  H   UNL     1      -0.167   0.894  -1.388  1.00  0.00           H  
HETATM  127  H   UNL     1       1.278   1.443   0.551  1.00  0.00           H  
HETATM  128  H   UNL     1       0.916  -0.145   1.271  1.00  0.00           H  
HETATM  129  H   UNL     1       1.902  -1.267  -0.708  1.00  0.00           H  
HETATM  130  H   UNL     1       2.265   0.320  -1.428  1.00  0.00           H  
HETATM  131  H   UNL     1       3.710   0.869   0.511  1.00  0.00           H  
HETATM  132  H   UNL     1       3.347  -0.718   1.230  1.00  0.00           H  
HETATM  133  H   UNL     1       4.333  -1.841  -0.748  1.00  0.00           H  
HETATM  134  H   UNL     1       4.696  -0.254  -1.468  1.00  0.00           H  
HETATM  135  H   UNL     1       6.141   0.295   0.471  1.00  0.00           H  
HETATM  136  H   UNL     1       5.779  -1.292   1.190  1.00  0.00           H  
HETATM  137  H   UNL     1       6.765  -2.414  -0.789  1.00  0.00           H  
HETATM  138  H   UNL     1       7.127  -0.827  -1.508  1.00  0.00           H  
HETATM  139  H   UNL     1       8.573  -0.278   0.430  1.00  0.00           H  
HETATM  140  H   UNL     1       8.210  -1.865   1.150  1.00  0.00           H  
HETATM  141  H   UNL     1       9.196  -2.988  -0.829  1.00  0.00           H  
HETATM  142  H   UNL     1       9.559  -1.401  -1.548  1.00  0.00           H  
HETATM  143  H   UNL     1      11.004  -0.852   0.390  1.00  0.00           H  
HETATM  144  H   UNL     1      10.642  -2.439   1.110  1.00  0.00           H  
HETATM  145  H   UNL     1      11.628  -3.562  -0.869  1.00  0.00           H  
HETATM  146  H   UNL     1      11.990  -1.975  -1.589  1.00  0.00           H  
HETATM  147  H   UNL     1      13.436  -1.426   0.350  1.00  0.00           H  
HETATM  148  H   UNL     1      13.073  -3.013   1.070  1.00  0.00           H  
HETATM  149  H   UNL     1      14.059  -4.135  -0.909  1.00  0.00           H  
HETATM  150  H   UNL     1      14.422  -2.548  -1.629  1.00  0.00           H  
HETATM  151  H   UNL     1      15.867  -1.999   0.310  1.00  0.00           H  
HETATM  152  H   UNL     1      15.504  -3.586   1.029  1.00  0.00           H  
HETATM  153  H   UNL     1      16.490  -4.709  -0.950  1.00  0.00           H  
HETATM  154  H   UNL     1      16.853  -3.122  -1.669  1.00  0.00           H  
HETATM  155  H   UNL     1      18.298  -2.573   0.269  1.00  0.00           H  
HETATM  156  H   UNL     1      17.936  -4.160   0.989  1.00  0.00           H  
HETATM  157  H   UNL     1      18.922  -5.283  -0.990  1.00  0.00           H  
HETATM  158  H   UNL     1      19.284  -3.695  -1.709  1.00  0.00           H  
HETATM  159  H   UNL     1      20.730  -3.147   0.229  1.00  0.00           H  
HETATM  160  H   UNL     1      20.367  -4.734   0.949  1.00  0.00           H  
HETATM  161  H   UNL     1      21.353  -5.856  -1.030  1.00  0.00           H  
HETATM  162  H   UNL     1      21.716  -4.269  -1.750  1.00  0.00           H  
HETATM  163  H   UNL     1      23.161  -3.720   0.189  1.00  0.00           H  
HETATM  164  H   UNL     1      22.799  -5.307   0.909  1.00  0.00           H  
HETATM  165  H   UNL     1      23.785  -6.430  -1.070  1.00  0.00           H  
HETATM  166  H   UNL     1      24.147  -4.843  -1.790  1.00  0.00           H  
HETATM  167  H   UNL     1      25.593  -4.294   0.149  1.00  0.00           H  
HETATM  168  H   UNL     1      25.230  -5.881   0.868  1.00  0.00           H  
HETATM  169  H   UNL     1      26.216  -7.004  -1.110  1.00  0.00           H  
HETATM  170  H   UNL     1      26.579  -5.416  -1.830  1.00  0.00           H  
HETATM  171  H   UNL     1      27.398  -5.923  -0.333  1.00  0.00           H  
HETATM  172  H   UNL     1      -2.864   5.104   0.092  1.00  0.00           H  
HETATM  173  H   UNL     1      -1.207   5.351   1.723  1.00  0.00           H  
HETATM  174  H   UNL     1      -0.957   5.953   3.561  1.00  0.00           H  
HETATM  175  H   UNL     1      -0.303   6.332   5.878  1.00  0.00           H  
HETATM  176  H   UNL     1       2.000   6.973   6.447  1.00  0.00           H  
HETATM  177  H   UNL     1       3.686   7.245   4.709  1.00  0.00           H  
HETATM  178  H   UNL     1       4.299   7.178   2.312  1.00  0.00           H  
HETATM  179  H   UNL     1       3.659   6.800  -0.005  1.00  0.00           H  
HETATM  180  H   UNL     1       1.360   6.160  -0.592  1.00  0.00           H  
CONECT    1    2   23   74   75                                       
CONECT    2    1    4    3   76                                       
CONECT    3    2   33   77                                            
CONECT    4    2    6    5   78                                       
CONECT    5    4   79                                                 
CONECT    6    4    7    8   80                                       
CONECT    7    6   81                                                 
CONECT    8    6    9   82   83                                       
CONECT    9    8   10   84   85                                       
CONECT   10    9   11   86   87                                       
CONECT   11   10   12   88   89                                       
CONECT   12   11   13   90   91                                       
CONECT   13   12   14   92   93                                       
CONECT   14   13   15   94   95                                       
CONECT   15   14   16   96   97                                       
CONECT   16   15   17   98   99                                       
CONECT   17   16   18  100  101                                       
CONECT   18   17   19  102  103                                       
CONECT   19   18   20  104  105                                       
CONECT   20   19   21  106  107                                       
CONECT   21   20  108  109  110                                       
CONECT   22   24   23   32  111                                       
CONECT   23    1   22                                                 
CONECT   24   22   25   26  112                                       
CONECT   25   24  113                                                 
CONECT   26   24   27   28  114                                       
CONECT   27   26  115                                                 
CONECT   28   26   29   30  116                                       
CONECT   29   28  117                                                 
CONECT   30   28   32   31  118                                       
CONECT   31   30   60  119  120                                       
CONECT   32   22   30                                                 
CONECT   33    3   35   34   34                                       
CONECT   34   33   33                                                 
CONECT   35   33   36  121  122                                       
CONECT   36   35   37  123  124                                       
CONECT   37   36   38  125  126                                       
CONECT   38   37   39  127  128                                       
CONECT   39   38   40  129  130                                       
CONECT   40   39   41  131  132                                       
CONECT   41   40   42  133  134                                       
CONECT   42   41   43  135  136                                       
CONECT   43   42   44  137  138                                       
CONECT   44   43   45  139  140                                       
CONECT   45   44   46  141  142                                       
CONECT   46   45   47  143  144                                       
CONECT   47   46   48  145  146                                       
CONECT   48   47   49  147  148                                       
CONECT   49   48   50  149  150                                       
CONECT   50   49   51  151  152                                       
CONECT   51   50   52  153  154                                       
CONECT   52   51   53  155  156                                       
CONECT   53   52   54  157  158                                       
CONECT   54   53   55  159  160                                       
CONECT   55   54   56  161  162                                       
CONECT   56   55   57  163  164                                       
CONECT   57   56   58  165  166                                       
CONECT   58   57   59  167  168                                       
CONECT   59   58  169  170  171                                       
CONECT   60   31   61  172                                            
CONECT   61   60   63   63   62                                       
CONECT   62   61   73  173                                            
CONECT   63   61   61                                                 
CONECT   64   65   65   73   69                                       
CONECT   65   64   64   66  174                                       
CONECT   66   65   67   67  175                                       
CONECT   67   66   66   68  176                                       
CONECT   68   67   69   69  177                                       
CONECT   69   64   68   68   70                                       
CONECT   70   69   71   71  178                                       
CONECT   71   70   70   72  179                                       
CONECT   72   71   73   73  180                                       
CONECT   73   62   64   72   72                                       
CONECT   74    1                                                      
CONECT   75    1                                                      
CONECT   76    2                                                      
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    5                                                      
CONECT   80    6                                                      
CONECT   81    7                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   10                                                      
CONECT   88   11                                                      
CONECT   89   11                                                      
CONECT   90   12                                                      
CONECT   91   12                                                      
CONECT   92   13                                                      
CONECT   93   13                                                      
CONECT   94   14                                                      
CONECT   95   14                                                      
CONECT   96   15                                                      
CONECT   97   15                                                      
CONECT   98   16                                                      
CONECT   99   16                                                      
CONECT  100   17                                                      
CONECT  101   17                                                      
CONECT  102   18                                                      
CONECT  103   18                                                      
CONECT  104   19                                                      
CONECT  105   19                                                      
CONECT  106   20                                                      
CONECT  107   20                                                      
CONECT  108   21                                                      
CONECT  109   21                                                      
CONECT  110   21                                                      
CONECT  111   22                                                      
CONECT  112   24                                                      
CONECT  113   25                                                      
CONECT  114   26                                                      
CONECT  115   27                                                      
CONECT  116   28                                                      
CONECT  117   29                                                      
CONECT  118   30                                                      
CONECT  119   31                                                      
CONECT  120   31                                                      
CONECT  121   35                                                      
CONECT  122   35                                                      
CONECT  123   36                                                      
CONECT  124   36                                                      
CONECT  125   37                                                      
CONECT  126   37                                                      
CONECT  127   38                                                      
CONECT  128   38                                                      
CONECT  129   39                                                      
CONECT  130   39                                                      
CONECT  131   40                                                      
CONECT  132   40                                                      
CONECT  133   41                                                      
CONECT  134   41                                                      
CONECT  135   42                                                      
CONECT  136   42                                                      
CONECT  137   43                                                      
CONECT  138   43                                                      
CONECT  139   44                                                      
CONECT  140   44                                                      
CONECT  141   45                                                      
CONECT  142   45                                                      
CONECT  143   46                                                      
CONECT  144   46                                                      
CONECT  145   47                                                      
CONECT  146   47                                                      
CONECT  147   48                                                      
CONECT  148   48                                                      
CONECT  149   49                                                      
CONECT  150   49                                                      
CONECT  151   50                                                      
CONECT  152   50                                                      
CONECT  153   51                                                      
CONECT  154   51                                                      
CONECT  155   52                                                      
CONECT  156   52                                                      
CONECT  157   53                                                      
CONECT  158   53                                                      
CONECT  159   54                                                      
CONECT  160   54                                                      
CONECT  161   55                                                      
CONECT  162   55                                                      
CONECT  163   56                                                      
CONECT  164   56                                                      
CONECT  165   57                                                      
CONECT  166   57                                                      
CONECT  167   58                                                      
CONECT  168   58                                                      
CONECT  169   59                                                      
CONECT  170   59                                                      
CONECT  171   59                                                      
CONECT  172   60                                                      
CONECT  173   62                                                      
CONECT  174   65                                                      
CONECT  175   66                                                      
CONECT  176   67                                                      
CONECT  177   68                                                      
CONECT  178   70                                                      
CONECT  179   71                                                      
CONECT  180   72                                                      
MASTER        0    0    0    0    0    0    0    0  180    0  180    0
END
