COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.222  -5.792   0.936  1.00  0.00           C  
HETATM    2  C   UNL     1       2.622  -6.584   0.369  1.00  0.00           C  
HETATM    3  C   UNL     1       3.989  -5.962   0.078  1.00  0.00           C  
HETATM    4  C   UNL     1       4.497  -6.457  -1.279  1.00  0.00           C  
HETATM    5  C   UNL     1       5.891  -5.878  -1.536  1.00  0.00           C  
HETATM    6  C   UNL     1       6.819  -6.280  -0.386  1.00  0.00           C  
HETATM    7  C   UNL     1      16.653  14.066  -1.643  1.00  0.00           C  
HETATM    8  C   UNL     1      16.610  12.541  -1.756  1.00  0.00           C  
HETATM    9  C   UNL     1      15.284  12.025  -1.194  1.00  0.00           C  
HETATM   10  C   UNL     1      15.241  10.499  -1.308  1.00  0.00           C  
HETATM   11  C   UNL     1      13.914   9.983  -0.746  1.00  0.00           C  
HETATM   12  C   UNL     1      13.871   8.458  -0.859  1.00  0.00           C  
HETATM   13  C   UNL     1      12.545   7.942  -0.298  1.00  0.00           C  
HETATM   14  C   UNL     1      12.502   6.417  -0.411  1.00  0.00           C  
HETATM   15  C   UNL     1      11.176   5.901   0.151  1.00  0.00           C  
HETATM   16  C   UNL     1      11.133   4.376   0.038  1.00  0.00           C  
HETATM   17  C   UNL     1       9.806   3.860   0.599  1.00  0.00           C  
HETATM   18  C   UNL     1       9.764   2.335   0.486  1.00  0.00           C  
HETATM   19  C   UNL     1       8.437   1.819   1.048  1.00  0.00           C  
HETATM   20  C   UNL     1       8.394   0.294   0.934  1.00  0.00           C  
HETATM   21  C   UNL     1       7.068  -0.222   1.496  1.00  0.00           C  
HETATM   22  O   UNL     1       5.991   0.248   0.682  1.00  0.00           O  
HETATM   23  C   UNL     1       7.076  -1.752   1.498  1.00  0.00           C  
HETATM   24  O   UNL     1       8.152  -2.222   2.312  1.00  0.00           O  
HETATM   25  C   UNL     1       5.749  -2.268   2.060  1.00  0.00           C  
HETATM   26  C   UNL     1       5.808  -3.792   2.190  1.00  0.00           C  
HETATM   27  O   UNL     1       6.141  -4.365   0.924  1.00  0.00           O  
HETATM   28  O   UNL     1       8.104  -5.685  -0.579  1.00  0.00           O  
HETATM   29  O   UNL     1       6.404  -6.393  -2.767  1.00  0.00           O  
HETATM   30  O   UNL     1       4.914  -6.343   1.099  1.00  0.00           O  
HETATM   31  O   UNL     1       2.097  -6.034   1.579  1.00  0.00           O  
HETATM   32  O   UNL     1       4.567  -7.884  -1.271  1.00  0.00           O  
HETATM   33  C   UNL     1       4.359  -8.484  -2.551  1.00  0.00           C  
HETATM   34  C   UNL     1       4.455 -10.005  -2.424  1.00  0.00           C  
HETATM   35  C   UNL     1       5.587 -10.707  -3.176  1.00  0.00           C  
HETATM   36  C   UNL     1       4.144 -10.840  -3.668  1.00  0.00           C  
HETATM   37  N   UNL     1       4.658  -1.898   1.154  1.00  0.00           N  
HETATM   38  C   UNL     1       3.402  -1.777   1.627  1.00  0.00           C  
HETATM   39  O   UNL     1       3.174  -1.975   2.802  1.00  0.00           O  
HETATM   40  C   UNL     1       2.280  -1.396   0.696  1.00  0.00           C  
HETATM   41  C   UNL     1       0.968  -1.328   1.479  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.171  -0.941   0.534  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.484  -0.874   1.317  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.623  -0.487   0.372  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.935  -0.419   1.156  1.00  0.00           C  
HETATM   46  C   UNL     1      -5.074  -0.032   0.210  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.387   0.035   0.994  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.526   0.422   0.049  1.00  0.00           C  
HETATM   49  C   UNL     1      -8.838   0.489   0.832  1.00  0.00           C  
HETATM   50  C   UNL     1      -9.977   0.877  -0.113  1.00  0.00           C  
HETATM   51  C   UNL     1     -11.290   0.944   0.670  1.00  0.00           C  
HETATM   52  C   UNL     1     -12.429   1.331  -0.275  1.00  0.00           C  
HETATM   53  C   UNL     1     -13.741   1.398   0.508  1.00  0.00           C  
HETATM   54  C   UNL     1     -14.880   1.785  -0.437  1.00  0.00           C  
HETATM   55  C   UNL     1     -16.192   1.853   0.347  1.00  0.00           C  
HETATM   56  C   UNL     1     -17.332   2.240  -0.599  1.00  0.00           C  
HETATM   57  C   UNL     1     -18.644   2.307   0.185  1.00  0.00           C  
HETATM   58  C   UNL     1     -19.783   2.694  -0.761  1.00  0.00           C  
HETATM   59  C   UNL     1     -21.096   2.762   0.023  1.00  0.00           C  
HETATM   60  C   UNL     1     -22.235   3.149  -0.923  1.00  0.00           C  
HETATM   61  C   UNL     1     -23.547   3.216  -0.139  1.00  0.00           C  
HETATM   62  C   UNL     1     -24.686   3.603  -1.084  1.00  0.00           C  
HETATM   63  C   UNL     1     -25.998   3.671  -0.301  1.00  0.00           C  
HETATM   64  C   UNL     1     -27.138   4.058  -1.246  1.00  0.00           C  
HETATM   65  H   UNL     1       6.857  -6.113   1.762  1.00  0.00           H  
HETATM   66  H   UNL     1       1.941  -6.367  -0.454  1.00  0.00           H  
HETATM   67  H   UNL     1       2.730  -7.663   0.477  1.00  0.00           H  
HETATM   68  H   UNL     1       3.898  -4.876   0.057  1.00  0.00           H  
HETATM   69  H   UNL     1       3.815  -6.130  -2.064  1.00  0.00           H  
HETATM   70  H   UNL     1       5.830  -4.791  -1.592  1.00  0.00           H  
HETATM   71  H   UNL     1       6.920  -7.365  -0.362  1.00  0.00           H  
HETATM   72  H   UNL     1      16.565  14.355  -0.596  1.00  0.00           H  
HETATM   73  H   UNL     1      17.598  14.433  -2.043  1.00  0.00           H  
HETATM   74  H   UNL     1      15.827  14.496  -2.209  1.00  0.00           H  
HETATM   75  H   UNL     1      16.698  12.251  -2.803  1.00  0.00           H  
HETATM   76  H   UNL     1      17.436  12.111  -1.190  1.00  0.00           H  
HETATM   77  H   UNL     1      15.195  12.314  -0.147  1.00  0.00           H  
HETATM   78  H   UNL     1      14.458  12.454  -1.761  1.00  0.00           H  
HETATM   79  H   UNL     1      15.329  10.210  -2.355  1.00  0.00           H  
HETATM   80  H   UNL     1      16.067  10.070  -0.741  1.00  0.00           H  
HETATM   81  H   UNL     1      13.826  10.273   0.301  1.00  0.00           H  
HETATM   82  H   UNL     1      13.088  10.413  -1.313  1.00  0.00           H  
HETATM   83  H   UNL     1      13.960   8.169  -1.906  1.00  0.00           H  
HETATM   84  H   UNL     1      14.698   8.028  -0.293  1.00  0.00           H  
HETATM   85  H   UNL     1      12.457   8.232   0.749  1.00  0.00           H  
HETATM   86  H   UNL     1      11.719   8.372  -0.864  1.00  0.00           H  
HETATM   87  H   UNL     1      12.590   6.128  -1.458  1.00  0.00           H  
HETATM   88  H   UNL     1      13.328   5.987   0.156  1.00  0.00           H  
HETATM   89  H   UNL     1      11.087   6.190   1.198  1.00  0.00           H  
HETATM   90  H   UNL     1      10.350   6.331  -0.416  1.00  0.00           H  
HETATM   91  H   UNL     1      11.221   4.087  -1.010  1.00  0.00           H  
HETATM   92  H   UNL     1      11.959   3.946   0.604  1.00  0.00           H  
HETATM   93  H   UNL     1       9.718   4.149   1.646  1.00  0.00           H  
HETATM   94  H   UNL     1       8.980   4.290   0.033  1.00  0.00           H  
HETATM   95  H   UNL     1       9.852   2.046  -0.561  1.00  0.00           H  
HETATM   96  H   UNL     1      10.590   1.905   1.053  1.00  0.00           H  
HETATM   97  H   UNL     1       8.349   2.108   2.095  1.00  0.00           H  
HETATM   98  H   UNL     1       7.611   2.249   0.481  1.00  0.00           H  
HETATM   99  H   UNL     1       8.483   0.004  -0.113  1.00  0.00           H  
HETATM  100  H   UNL     1       9.220  -0.136   1.501  1.00  0.00           H  
HETATM  101  H   UNL     1       6.939   0.142   2.515  1.00  0.00           H  
HETATM  102  H   UNL     1       6.041  -0.039  -0.240  1.00  0.00           H  
HETATM  103  H   UNL     1       7.205  -2.116   0.479  1.00  0.00           H  
HETATM  104  H   UNL     1       8.144  -1.875   3.214  1.00  0.00           H  
HETATM  105  H   UNL     1       5.573  -1.826   3.040  1.00  0.00           H  
HETATM  106  H   UNL     1       6.568  -4.064   2.923  1.00  0.00           H  
HETATM  107  H   UNL     1       4.838  -4.167   2.515  1.00  0.00           H  
HETATM  108  H   UNL     1       8.744  -5.898   0.114  1.00  0.00           H  
HETATM  109  H   UNL     1       7.288  -6.073  -2.990  1.00  0.00           H  
HETATM  110  H   UNL     1       1.230  -6.384   1.826  1.00  0.00           H  
HETATM  111  H   UNL     1       3.371  -8.212  -2.923  1.00  0.00           H  
HETATM  112  H   UNL     1       5.119  -8.129  -3.247  1.00  0.00           H  
HETATM  113  H   UNL     1       4.163 -10.415  -1.457  1.00  0.00           H  
HETATM  114  H   UNL     1       6.264 -10.085  -3.762  1.00  0.00           H  
HETATM  115  H   UNL     1       6.040 -11.579  -2.704  1.00  0.00           H  
HETATM  116  H   UNL     1       3.648 -11.799  -3.520  1.00  0.00           H  
HETATM  117  H   UNL     1       3.872 -10.305  -4.577  1.00  0.00           H  
HETATM  118  H   UNL     1       4.840  -1.739   0.215  1.00  0.00           H  
HETATM  119  H   UNL     1       2.490  -0.422   0.254  1.00  0.00           H  
HETATM  120  H   UNL     1       2.194  -2.142  -0.094  1.00  0.00           H  
HETATM  121  H   UNL     1       0.758  -2.302   1.921  1.00  0.00           H  
HETATM  122  H   UNL     1       1.054  -0.582   2.269  1.00  0.00           H  
HETATM  123  H   UNL     1       0.038   0.033   0.092  1.00  0.00           H  
HETATM  124  H   UNL     1      -0.258  -1.688  -0.256  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.694  -1.848   1.760  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.398  -0.127   2.107  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.413   0.487  -0.070  1.00  0.00           H  
HETATM  128  H   UNL     1      -2.709  -1.233  -0.417  1.00  0.00           H  
HETATM  129  H   UNL     1      -4.145  -1.393   1.598  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.849   0.327   1.945  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.865   0.942  -0.232  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.161  -0.779  -0.579  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.596  -0.939   1.436  1.00  0.00           H  
HETATM  134  H   UNL     1      -6.300   0.781   1.783  1.00  0.00           H  
HETATM  135  H   UNL     1      -7.316   1.396  -0.394  1.00  0.00           H  
HETATM  136  H   UNL     1      -7.612  -0.324  -0.741  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.048  -0.484   1.274  1.00  0.00           H  
HETATM  138  H   UNL     1      -8.752   1.236   1.622  1.00  0.00           H  
HETATM  139  H   UNL     1      -9.767   1.850  -0.555  1.00  0.00           H  
HETATM  140  H   UNL     1     -10.064   0.130  -0.903  1.00  0.00           H  
HETATM  141  H   UNL     1     -11.499  -0.030   1.112  1.00  0.00           H  
HETATM  142  H   UNL     1     -11.203   1.690   1.460  1.00  0.00           H  
HETATM  143  H   UNL     1     -12.219   2.305  -0.717  1.00  0.00           H  
HETATM  144  H   UNL     1     -12.515   0.585  -1.065  1.00  0.00           H  
HETATM  145  H   UNL     1     -13.951   0.424   0.950  1.00  0.00           H  
HETATM  146  H   UNL     1     -13.655   2.145   1.298  1.00  0.00           H  
HETATM  147  H   UNL     1     -14.670   2.759  -0.879  1.00  0.00           H  
HETATM  148  H   UNL     1     -14.966   1.039  -1.227  1.00  0.00           H  
HETATM  149  H   UNL     1     -16.402   0.879   0.789  1.00  0.00           H  
HETATM  150  H   UNL     1     -16.106   2.599   1.136  1.00  0.00           H  
HETATM  151  H   UNL     1     -17.122   3.214  -1.041  1.00  0.00           H  
HETATM  152  H   UNL     1     -17.418   1.493  -1.388  1.00  0.00           H  
HETATM  153  H   UNL     1     -18.854   1.333   0.627  1.00  0.00           H  
HETATM  154  H   UNL     1     -18.558   3.054   0.974  1.00  0.00           H  
HETATM  155  H   UNL     1     -19.573   3.668  -1.203  1.00  0.00           H  
HETATM  156  H   UNL     1     -19.869   1.948  -1.550  1.00  0.00           H  
HETATM  157  H   UNL     1     -21.305   1.788   0.465  1.00  0.00           H  
HETATM  158  H   UNL     1     -21.009   3.508   0.812  1.00  0.00           H  
HETATM  159  H   UNL     1     -22.025   4.123  -1.365  1.00  0.00           H  
HETATM  160  H   UNL     1     -22.321   2.402  -1.712  1.00  0.00           H  
HETATM  161  H   UNL     1     -23.757   2.242   0.303  1.00  0.00           H  
HETATM  162  H   UNL     1     -23.461   3.963   0.651  1.00  0.00           H  
HETATM  163  H   UNL     1     -24.476   4.577  -1.526  1.00  0.00           H  
HETATM  164  H   UNL     1     -24.772   2.857  -1.874  1.00  0.00           H  
HETATM  165  H   UNL     1     -26.208   2.697   0.141  1.00  0.00           H  
HETATM  166  H   UNL     1     -25.912   4.417   0.489  1.00  0.00           H  
HETATM  167  H   UNL     1     -28.072   4.106  -0.688  1.00  0.00           H  
HETATM  168  H   UNL     1     -26.928   5.032  -1.688  1.00  0.00           H  
HETATM  169  H   UNL     1     -27.224   3.311  -2.036  1.00  0.00           H  
CONECT    1    6   27   30   65                                       
CONECT    2    3   31   66   67                                       
CONECT    3    4   30    2   68                                       
CONECT    4    5   32    3   69                                       
CONECT    5   29    6    4   70                                       
CONECT    6   28    5    1   71                                       
CONECT    7    8   72   73   74                                       
CONECT    8    7    9   75   76                                       
CONECT    9    8   10   77   78                                       
CONECT   10    9   11   79   80                                       
CONECT   11   10   12   81   82                                       
CONECT   12   11   13   83   84                                       
CONECT   13   12   14   85   86                                       
CONECT   14   13   15   87   88                                       
CONECT   15   14   16   89   90                                       
CONECT   16   15   17   91   92                                       
CONECT   17   16   18   93   94                                       
CONECT   18   17   19   95   96                                       
CONECT   19   18   20   97   98                                       
CONECT   20   19   21   99  100                                       
CONECT   21   22   20   23  101                                       
CONECT   22   21  102                                                 
CONECT   23   21   24   25  103                                       
CONECT   24   23  104                                                 
CONECT   25   23   37   26  105                                       
CONECT   26   25   27  106  107                                       
CONECT   27   26    1                                                 
CONECT   28    6  108                                                 
CONECT   29    5  109                                                 
CONECT   30    1    3                                                 
CONECT   31    2  110                                                 
CONECT   32    4   33                                                 
CONECT   33   34   32  111  112                                       
CONECT   34   35   36   33  113                                       
CONECT   35   34   36  114  115                                       
CONECT   36   35   34  116  117                                       
CONECT   37   25   38  118                                            
CONECT   38   37   40   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   38   41  119  120                                       
CONECT   41   42   40  121  122                                       
CONECT   42   43   41  123  124                                       
CONECT   43   44   42  125  126                                       
CONECT   44   45   43  127  128                                       
CONECT   45   46   44  129  130                                       
CONECT   46   47   45  131  132                                       
CONECT   47   46   48  133  134                                       
CONECT   48   47   49  135  136                                       
CONECT   49   48   50  137  138                                       
CONECT   50   49   51  139  140                                       
CONECT   51   50   52  141  142                                       
CONECT   52   51   53  143  144                                       
CONECT   53   52   54  145  146                                       
CONECT   54   53   55  147  148                                       
CONECT   55   54   56  149  150                                       
CONECT   56   55   57  151  152                                       
CONECT   57   58   56  153  154                                       
CONECT   58   59   57  155  156                                       
CONECT   59   60   58  157  158                                       
CONECT   60   61   59  159  160                                       
CONECT   61   62   60  161  162                                       
CONECT   62   63   61  163  164                                       
CONECT   63   64   62  165  166                                       
CONECT   64   63  167  168  169                                       
CONECT   65    1                                                      
CONECT   66    2                                                      
CONECT   67    2                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    5                                                      
CONECT   71    6                                                      
CONECT   72    7                                                      
CONECT   73    7                                                      
CONECT   74    7                                                      
CONECT   75    8                                                      
CONECT   76    8                                                      
CONECT   77    9                                                      
CONECT   78    9                                                      
CONECT   79   10                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   11                                                      
CONECT   83   12                                                      
CONECT   84   12                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   15                                                      
CONECT   91   16                                                      
CONECT   92   16                                                      
CONECT   93   17                                                      
CONECT   94   17                                                      
CONECT   95   18                                                      
CONECT   96   18                                                      
CONECT   97   19                                                      
CONECT   98   19                                                      
CONECT   99   20                                                      
CONECT  100   20                                                      
CONECT  101   21                                                      
CONECT  102   22                                                      
CONECT  103   23                                                      
CONECT  104   24                                                      
CONECT  105   25                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   28                                                      
CONECT  109   29                                                      
CONECT  110   31                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   34                                                      
CONECT  114   35                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   36                                                      
CONECT  118   37                                                      
CONECT  119   40                                                      
CONECT  120   40                                                      
CONECT  121   41                                                      
CONECT  122   41                                                      
CONECT  123   42                                                      
CONECT  124   42                                                      
CONECT  125   43                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   45                                                      
CONECT  131   46                                                      
CONECT  132   46                                                      
CONECT  133   47                                                      
CONECT  134   47                                                      
CONECT  135   48                                                      
CONECT  136   48                                                      
CONECT  137   49                                                      
CONECT  138   49                                                      
CONECT  139   50                                                      
CONECT  140   50                                                      
CONECT  141   51                                                      
CONECT  142   51                                                      
CONECT  143   52                                                      
CONECT  144   52                                                      
CONECT  145   53                                                      
CONECT  146   53                                                      
CONECT  147   54                                                      
CONECT  148   54                                                      
CONECT  149   55                                                      
CONECT  150   55                                                      
CONECT  151   56                                                      
CONECT  152   56                                                      
CONECT  153   57                                                      
CONECT  154   57                                                      
CONECT  155   58                                                      
CONECT  156   58                                                      
CONECT  157   59                                                      
CONECT  158   59                                                      
CONECT  159   60                                                      
CONECT  160   60                                                      
CONECT  161   61                                                      
CONECT  162   61                                                      
CONECT  163   62                                                      
CONECT  164   62                                                      
CONECT  165   63                                                      
CONECT  166   63                                                      
CONECT  167   64                                                      
CONECT  168   64                                                      
CONECT  169   64                                                      
MASTER        0    0    0    0    0    0    0    0  169    0  169    0
END
