COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.015   3.483  -1.129  1.00  0.00           O  
HETATM    2  C   UNL     1       3.915   5.168  -0.324  1.00  0.00           C  
HETATM    3  O   UNL     1       4.555   7.111   0.965  1.00  0.00           O  
HETATM    4  C   UNL     1       5.820   5.074   1.286  1.00  0.00           C  
HETATM    5  C   UNL     1       6.756   5.415   0.122  1.00  0.00           C  
HETATM    6  C   UNL     1      15.975 -15.172   1.964  1.00  0.00           C  
HETATM    7  C   UNL     1      15.978 -13.644   2.032  1.00  0.00           C  
HETATM    8  C   UNL     1      14.666 -13.105   1.458  1.00  0.00           C  
HETATM    9  C   UNL     1      14.670 -11.577   1.526  1.00  0.00           C  
HETATM   10  C   UNL     1      13.358 -11.038   0.952  1.00  0.00           C  
HETATM   11  C   UNL     1      13.361  -9.509   1.020  1.00  0.00           C  
HETATM   12  C   UNL     1      12.049  -8.970   0.446  1.00  0.00           C  
HETATM   13  C   UNL     1      12.052  -7.442   0.513  1.00  0.00           C  
HETATM   14  C   UNL     1      10.740  -6.903  -0.060  1.00  0.00           C  
HETATM   15  C   UNL     1      10.744  -5.375   0.007  1.00  0.00           C  
HETATM   16  C   UNL     1       9.432  -4.836  -0.567  1.00  0.00           C  
HETATM   17  C   UNL     1       9.435  -3.307  -0.499  1.00  0.00           C  
HETATM   18  C   UNL     1       8.123  -2.769  -1.073  1.00  0.00           C  
HETATM   19  C   UNL     1       8.127  -1.240  -1.005  1.00  0.00           C  
HETATM   20  C   UNL     1       6.815  -0.701  -1.579  1.00  0.00           C  
HETATM   21  O   UNL     1       5.727  -1.114  -0.750  1.00  0.00           O  
HETATM   22  C   UNL     1       6.868   0.827  -1.627  1.00  0.00           C  
HETATM   23  O   UNL     1       7.956   1.240  -2.456  1.00  0.00           O  
HETATM   24  C   UNL     1       5.556   1.366  -2.201  1.00  0.00           C  
HETATM   25  C   UNL     1       5.661   2.882  -2.376  1.00  0.00           C  
HETATM   26  C   UNL     1       6.139   4.906  -1.184  1.00  0.00           C  
HETATM   27  O   UNL     1       8.023   4.787   0.328  1.00  0.00           O  
HETATM   28  O   UNL     1       6.352   5.610   2.499  1.00  0.00           O  
HETATM   29  O   UNL     1       4.847   5.491  -1.358  1.00  0.00           O  
HETATM   30  C   UNL     1       2.566   5.822  -0.629  1.00  0.00           C  
HETATM   31  O   UNL     1       2.020   5.253  -1.821  1.00  0.00           O  
HETATM   32  C   UNL     1       4.443   5.687   1.016  1.00  0.00           C  
HETATM   33  C   UNL     1       4.378   7.753   2.229  1.00  0.00           C  
HETATM   34  C   UNL     1       4.516   9.244   2.059  1.00  0.00           C  
HETATM   35  C   UNL     1       3.404  10.014   1.772  1.00  0.00           C  
HETATM   36  C   UNL     1       3.532  11.381   1.615  1.00  0.00           C  
HETATM   37  C   UNL     1       4.771  11.979   1.745  1.00  0.00           C  
HETATM   38  C   UNL     1       4.911  13.469   1.568  1.00  0.00           C  
HETATM   39  C   UNL     1       5.883  11.210   2.033  1.00  0.00           C  
HETATM   40  C   UNL     1       5.755   9.843   2.195  1.00  0.00           C  
HETATM   41  N   UNL     1       4.458   1.056  -1.283  1.00  0.00           N  
HETATM   42  C   UNL     1       3.197   0.959  -1.749  1.00  0.00           C  
HETATM   43  O   UNL     1       2.972   1.129  -2.928  1.00  0.00           O  
HETATM   44  C   UNL     1       2.067   0.640  -0.804  1.00  0.00           C  
HETATM   45  C   UNL     1       0.751   0.589  -1.583  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.397   0.264  -0.624  1.00  0.00           C  
HETATM   47  C   UNL     1      -1.713   0.213  -1.402  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.860  -0.111  -0.444  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.176  -0.162  -1.222  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.324  -0.486  -0.263  1.00  0.00           C  
HETATM   51  C   UNL     1      -6.640  -0.537  -1.042  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.787  -0.862  -0.083  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.104  -0.913  -0.861  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.251  -1.237   0.098  1.00  0.00           C  
HETATM   55  C   UNL     1     -11.567  -1.288  -0.681  1.00  0.00           C  
HETATM   56  C   UNL     1     -12.714  -1.612   0.278  1.00  0.00           C  
HETATM   57  C   UNL     1     -14.031  -1.663  -0.500  1.00  0.00           C  
HETATM   58  C   UNL     1     -15.178  -1.987   0.458  1.00  0.00           C  
HETATM   59  C   UNL     1     -16.494  -2.039  -0.320  1.00  0.00           C  
HETATM   60  C   UNL     1     -17.642  -2.363   0.639  1.00  0.00           C  
HETATM   61  C   UNL     1     -18.958  -2.414  -0.140  1.00  0.00           C  
HETATM   62  C   UNL     1     -20.105  -2.738   0.819  1.00  0.00           C  
HETATM   63  C   UNL     1     -21.421  -2.789   0.041  1.00  0.00           C  
HETATM   64  C   UNL     1     -22.569  -3.113   1.000  1.00  0.00           C  
HETATM   65  C   UNL     1     -23.885  -3.164   0.221  1.00  0.00           C  
HETATM   66  C   UNL     1     -25.032  -3.489   1.180  1.00  0.00           C  
HETATM   67  C   UNL     1     -26.348  -3.540   0.402  1.00  0.00           C  
HETATM   68  C   UNL     1     -27.496  -3.864   1.360  1.00  0.00           C  
HETATM   69  H   UNL     1       3.791   4.086  -0.271  1.00  0.00           H  
HETATM   70  H   UNL     1       5.727   3.992   1.374  1.00  0.00           H  
HETATM   71  H   UNL     1       6.888   6.495   0.065  1.00  0.00           H  
HETATM   72  H   UNL     1      15.875 -15.490   0.926  1.00  0.00           H  
HETATM   73  H   UNL     1      16.909 -15.556   2.373  1.00  0.00           H  
HETATM   74  H   UNL     1      15.138 -15.560   2.545  1.00  0.00           H  
HETATM   75  H   UNL     1      16.078 -13.326   3.070  1.00  0.00           H  
HETATM   76  H   UNL     1      16.815 -13.256   1.451  1.00  0.00           H  
HETATM   77  H   UNL     1      14.566 -13.422   0.420  1.00  0.00           H  
HETATM   78  H   UNL     1      13.829 -13.493   2.039  1.00  0.00           H  
HETATM   79  H   UNL     1      14.769 -11.259   2.564  1.00  0.00           H  
HETATM   80  H   UNL     1      15.507 -11.189   0.945  1.00  0.00           H  
HETATM   81  H   UNL     1      13.257 -11.355  -0.086  1.00  0.00           H  
HETATM   82  H   UNL     1      12.521 -11.425   1.533  1.00  0.00           H  
HETATM   83  H   UNL     1      13.461  -9.192   2.057  1.00  0.00           H  
HETATM   84  H   UNL     1      14.198  -9.122   0.439  1.00  0.00           H  
HETATM   85  H   UNL     1      11.949  -9.288  -0.592  1.00  0.00           H  
HETATM   86  H   UNL     1      11.212  -9.358   1.026  1.00  0.00           H  
HETATM   87  H   UNL     1      12.152  -7.124   1.551  1.00  0.00           H  
HETATM   88  H   UNL     1      12.889  -7.054  -0.067  1.00  0.00           H  
HETATM   89  H   UNL     1      10.640  -7.221  -1.099  1.00  0.00           H  
HETATM   90  H   UNL     1       9.903  -7.291   0.520  1.00  0.00           H  
HETATM   91  H   UNL     1      10.844  -5.057   1.045  1.00  0.00           H  
HETATM   92  H   UNL     1      11.581  -4.987  -0.574  1.00  0.00           H  
HETATM   93  H   UNL     1       9.332  -5.153  -1.605  1.00  0.00           H  
HETATM   94  H   UNL     1       8.595  -5.223   0.014  1.00  0.00           H  
HETATM   95  H   UNL     1       9.535  -2.990   0.539  1.00  0.00           H  
HETATM   96  H   UNL     1      10.272  -2.920  -1.080  1.00  0.00           H  
HETATM   97  H   UNL     1       8.023  -3.086  -2.111  1.00  0.00           H  
HETATM   98  H   UNL     1       7.286  -3.156  -0.492  1.00  0.00           H  
HETATM   99  H   UNL     1       8.227  -0.923   0.033  1.00  0.00           H  
HETATM  100  H   UNL     1       8.964  -0.852  -1.586  1.00  0.00           H  
HETATM  101  H   UNL     1       6.672  -1.091  -2.587  1.00  0.00           H  
HETATM  102  H   UNL     1       5.788  -0.802   0.164  1.00  0.00           H  
HETATM  103  H   UNL     1       7.011   1.217  -0.619  1.00  0.00           H  
HETATM  104  H   UNL     1       7.935   0.866  -3.348  1.00  0.00           H  
HETATM  105  H   UNL     1       5.365   0.900  -3.167  1.00  0.00           H  
HETATM  106  H   UNL     1       4.702   3.276  -2.711  1.00  0.00           H  
HETATM  107  H   UNL     1       6.426   3.110  -3.119  1.00  0.00           H  
HETATM  108  H   UNL     1       6.780   5.182  -2.020  1.00  0.00           H  
HETATM  109  H   UNL     1       8.666   4.960  -0.373  1.00  0.00           H  
HETATM  110  H   UNL     1       7.228   5.270   2.729  1.00  0.00           H  
HETATM  111  H   UNL     1       1.883   5.650   0.202  1.00  0.00           H  
HETATM  112  H   UNL     1       2.706   6.894  -0.770  1.00  0.00           H  
HETATM  113  H   UNL     1       1.163   5.621  -2.076  1.00  0.00           H  
HETATM  114  H   UNL     1       3.755   5.404   1.813  1.00  0.00           H  
HETATM  115  H   UNL     1       3.386   7.523   2.618  1.00  0.00           H  
HETATM  116  H   UNL     1       5.134   7.396   2.928  1.00  0.00           H  
HETATM  117  H   UNL     1       2.436   9.546   1.670  1.00  0.00           H  
HETATM  118  H   UNL     1       2.663  11.982   1.390  1.00  0.00           H  
HETATM  119  H   UNL     1       5.111  13.693   0.520  1.00  0.00           H  
HETATM  120  H   UNL     1       3.987  13.960   1.875  1.00  0.00           H  
HETATM  121  H   UNL     1       5.736  13.832   2.181  1.00  0.00           H  
HETATM  122  H   UNL     1       6.852  11.677   2.135  1.00  0.00           H  
HETATM  123  H   UNL     1       6.623   9.242   2.420  1.00  0.00           H  
HETATM  124  H   UNL     1       4.638   0.920  -0.339  1.00  0.00           H  
HETATM  125  H   UNL     1       2.249  -0.327  -0.334  1.00  0.00           H  
HETATM  126  H   UNL     1       2.005   1.411  -0.037  1.00  0.00           H  
HETATM  127  H   UNL     1       0.569   1.555  -2.053  1.00  0.00           H  
HETATM  128  H   UNL     1       0.812  -0.183  -2.350  1.00  0.00           H  
HETATM  129  H   UNL     1      -0.215  -0.702  -0.153  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.458   1.036   0.143  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.895   1.179  -1.873  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.651  -0.559  -2.170  1.00  0.00           H  
HETATM  133  H   UNL     1      -2.679  -1.077   0.027  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.922   0.661   0.324  1.00  0.00           H  
HETATM  135  H   UNL     1      -4.358   0.804  -1.692  1.00  0.00           H  
HETATM  136  H   UNL     1      -4.115  -0.934  -1.989  1.00  0.00           H  
HETATM  137  H   UNL     1      -5.142  -1.453   0.207  1.00  0.00           H  
HETATM  138  H   UNL     1      -5.385   0.286   0.504  1.00  0.00           H  
HETATM  139  H   UNL     1      -6.822   0.429  -1.512  1.00  0.00           H  
HETATM  140  H   UNL     1      -6.579  -1.309  -1.809  1.00  0.00           H  
HETATM  141  H   UNL     1      -7.606  -1.828   0.388  1.00  0.00           H  
HETATM  142  H   UNL     1      -7.849  -0.090   0.684  1.00  0.00           H  
HETATM  143  H   UNL     1      -9.285   0.054  -1.332  1.00  0.00           H  
HETATM  144  H   UNL     1      -9.042  -1.684  -1.628  1.00  0.00           H  
HETATM  145  H   UNL     1     -10.069  -2.203   0.568  1.00  0.00           H  
HETATM  146  H   UNL     1     -10.312  -0.465   0.865  1.00  0.00           H  
HETATM  147  H   UNL     1     -11.749  -0.322  -1.151  1.00  0.00           H  
HETATM  148  H   UNL     1     -11.506  -2.060  -1.448  1.00  0.00           H  
HETATM  149  H   UNL     1     -12.533  -2.578   0.748  1.00  0.00           H  
HETATM  150  H   UNL     1     -12.776  -0.840   1.045  1.00  0.00           H  
HETATM  151  H   UNL     1     -14.212  -0.697  -0.971  1.00  0.00           H  
HETATM  152  H   UNL     1     -13.969  -2.435  -1.268  1.00  0.00           H  
HETATM  153  H   UNL     1     -14.996  -2.954   0.929  1.00  0.00           H  
HETATM  154  H   UNL     1     -15.239  -1.215   1.226  1.00  0.00           H  
HETATM  155  H   UNL     1     -16.676  -1.072  -0.790  1.00  0.00           H  
HETATM  156  H   UNL     1     -16.433  -2.810  -1.087  1.00  0.00           H  
HETATM  157  H   UNL     1     -17.460  -3.329   1.109  1.00  0.00           H  
HETATM  158  H   UNL     1     -17.703  -1.591   1.406  1.00  0.00           H  
HETATM  159  H   UNL     1     -19.139  -1.447  -0.610  1.00  0.00           H  
HETATM  160  H   UNL     1     -18.896  -3.186  -0.907  1.00  0.00           H  
HETATM  161  H   UNL     1     -19.923  -3.704   1.290  1.00  0.00           H  
HETATM  162  H   UNL     1     -20.166  -1.966   1.586  1.00  0.00           H  
HETATM  163  H   UNL     1     -21.603  -1.823  -0.430  1.00  0.00           H  
HETATM  164  H   UNL     1     -21.360  -3.561  -0.726  1.00  0.00           H  
HETATM  165  H   UNL     1     -22.387  -4.080   1.470  1.00  0.00           H  
HETATM  166  H   UNL     1     -22.630  -2.341   1.767  1.00  0.00           H  
HETATM  167  H   UNL     1     -24.066  -2.198  -0.249  1.00  0.00           H  
HETATM  168  H   UNL     1     -23.823  -3.936  -0.546  1.00  0.00           H  
HETATM  169  H   UNL     1     -24.850  -4.455   1.651  1.00  0.00           H  
HETATM  170  H   UNL     1     -25.094  -2.717   1.947  1.00  0.00           H  
HETATM  171  H   UNL     1     -26.530  -2.573  -0.069  1.00  0.00           H  
HETATM  172  H   UNL     1     -26.287  -4.312  -0.366  1.00  0.00           H  
HETATM  173  H   UNL     1     -27.314  -4.830   1.831  1.00  0.00           H  
HETATM  174  H   UNL     1     -27.557  -3.092   2.128  1.00  0.00           H  
HETATM  175  H   UNL     1     -28.433  -3.900   0.806  1.00  0.00           H  
CONECT    1   25   26                                                 
CONECT    2   32   29   30   69                                       
CONECT    3   32   33                                                 
CONECT    4   28    5   32   70                                       
CONECT    5   27    4   26   71                                       
CONECT    6    7   72   73   74                                       
CONECT    7    6    8   75   76                                       
CONECT    8    7    9   77   78                                       
CONECT    9    8   10   79   80                                       
CONECT   10    9   11   81   82                                       
CONECT   11   10   12   83   84                                       
CONECT   12   11   13   85   86                                       
CONECT   13   12   14   87   88                                       
CONECT   14   13   15   89   90                                       
CONECT   15   14   16   91   92                                       
CONECT   16   15   17   93   94                                       
CONECT   17   16   18   95   96                                       
CONECT   18   17   19   97   98                                       
CONECT   19   18   20   99  100                                       
CONECT   20   21   19   22  101                                       
CONECT   21   20  102                                                 
CONECT   22   20   23   24  103                                       
CONECT   23   22  104                                                 
CONECT   24   22   41   25  105                                       
CONECT   25   24    1  106  107                                       
CONECT   26    5    1   29  108                                       
CONECT   27    5  109                                                 
CONECT   28    4  110                                                 
CONECT   29   26    2                                                 
CONECT   30    2   31  111  112                                       
CONECT   31   30  113                                                 
CONECT   32    4    3    2  114                                       
CONECT   33    3   34  115  116                                       
CONECT   34   40   40   35   33                                       
CONECT   35   36   36   34  117                                       
CONECT   36   37   35   35  118                                       
CONECT   37   38   39   39   36                                       
CONECT   38   37  119  120  121                                       
CONECT   39   37   37   40  122                                       
CONECT   40   39   34   34  123                                       
CONECT   41   24   42  124                                            
CONECT   42   41   44   43   43                                       
CONECT   43   42   42                                                 
CONECT   44   42   45  125  126                                       
CONECT   45   46   44  127  128                                       
CONECT   46   47   45  129  130                                       
CONECT   47   48   46  131  132                                       
CONECT   48   49   47  133  134                                       
CONECT   49   48   50  135  136                                       
CONECT   50   51   49  137  138                                       
CONECT   51   50   52  139  140                                       
CONECT   52   51   53  141  142                                       
CONECT   53   52   54  143  144                                       
CONECT   54   53   55  145  146                                       
CONECT   55   54   56  147  148                                       
CONECT   56   55   57  149  150                                       
CONECT   57   56   58  151  152                                       
CONECT   58   57   59  153  154                                       
CONECT   59   58   60  155  156                                       
CONECT   60   59   61  157  158                                       
CONECT   61   62   60  159  160                                       
CONECT   62   63   61  161  162                                       
CONECT   63   64   62  163  164                                       
CONECT   64   65   63  165  166                                       
CONECT   65   66   64  167  168                                       
CONECT   66   67   65  169  170                                       
CONECT   67   68   66  171  172                                       
CONECT   68   67  173  174  175                                       
CONECT   69    2                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   10                                                      
CONECT   83   11                                                      
CONECT   84   11                                                      
CONECT   85   12                                                      
CONECT   86   12                                                      
CONECT   87   13                                                      
CONECT   88   13                                                      
CONECT   89   14                                                      
CONECT   90   14                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   16                                                      
CONECT   94   16                                                      
CONECT   95   17                                                      
CONECT   96   17                                                      
CONECT   97   18                                                      
CONECT   98   18                                                      
CONECT   99   19                                                      
CONECT  100   19                                                      
CONECT  101   20                                                      
CONECT  102   21                                                      
CONECT  103   22                                                      
CONECT  104   23                                                      
CONECT  105   24                                                      
CONECT  106   25                                                      
CONECT  107   25                                                      
CONECT  108   26                                                      
CONECT  109   27                                                      
CONECT  110   28                                                      
CONECT  111   30                                                      
CONECT  112   30                                                      
CONECT  113   31                                                      
CONECT  114   32                                                      
CONECT  115   33                                                      
CONECT  116   33                                                      
CONECT  117   35                                                      
CONECT  118   36                                                      
CONECT  119   38                                                      
CONECT  120   38                                                      
CONECT  121   38                                                      
CONECT  122   39                                                      
CONECT  123   40                                                      
CONECT  124   41                                                      
CONECT  125   44                                                      
CONECT  126   44                                                      
CONECT  127   45                                                      
CONECT  128   45                                                      
CONECT  129   46                                                      
CONECT  130   46                                                      
CONECT  131   47                                                      
CONECT  132   47                                                      
CONECT  133   48                                                      
CONECT  134   48                                                      
CONECT  135   49                                                      
CONECT  136   49                                                      
CONECT  137   50                                                      
CONECT  138   50                                                      
CONECT  139   51                                                      
CONECT  140   51                                                      
CONECT  141   52                                                      
CONECT  142   52                                                      
CONECT  143   53                                                      
CONECT  144   53                                                      
CONECT  145   54                                                      
CONECT  146   54                                                      
CONECT  147   55                                                      
CONECT  148   55                                                      
CONECT  149   56                                                      
CONECT  150   56                                                      
CONECT  151   57                                                      
CONECT  152   57                                                      
CONECT  153   58                                                      
CONECT  154   58                                                      
CONECT  155   59                                                      
CONECT  156   59                                                      
CONECT  157   60                                                      
CONECT  158   60                                                      
CONECT  159   61                                                      
CONECT  160   61                                                      
CONECT  161   62                                                      
CONECT  162   62                                                      
CONECT  163   63                                                      
CONECT  164   63                                                      
CONECT  165   64                                                      
CONECT  166   64                                                      
CONECT  167   65                                                      
CONECT  168   65                                                      
CONECT  169   66                                                      
CONECT  170   66                                                      
CONECT  171   67                                                      
CONECT  172   67                                                      
CONECT  173   68                                                      
CONECT  174   68                                                      
CONECT  175   68                                                      
MASTER        0    0    0    0    0    0    0    0  175    0  175    0
END
