COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -21.700  -1.578   0.994  1.00  0.00           N  
HETATM    2  N   UNL     1     -10.134   1.211   1.019  1.00  0.00           N  
HETATM    3  C   UNL     1     -22.404  -0.713   0.343  1.00  0.00           C  
HETATM    4  C   UNL     1     -18.556  -0.163  -0.219  1.00  0.00           C  
HETATM    5  C   UNL     1     -18.113   1.157  -0.139  1.00  0.00           C  
HETATM    6  C   UNL     1     -16.799   1.459  -0.430  1.00  0.00           C  
HETATM    7  C   UNL     1     -15.921   0.456  -0.802  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.362   0.971   0.061  1.00  0.00           C  
HETATM    9  N   UNL     1      17.473   1.005   0.566  1.00  0.00           N  
HETATM   10  C   UNL     1     -11.065   3.109   2.148  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.343   0.554   0.148  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.733   0.080  -0.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.113  -1.476  -0.083  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.269  -2.720  -0.365  1.00  0.00           C  
HETATM   15  C   UNL     1       1.203  -2.411  -0.083  1.00  0.00           C  
HETATM   16  C   UNL     1       4.271  -4.585  -0.123  1.00  0.00           C  
HETATM   17  C   UNL     1       5.429  -2.026  -0.679  1.00  0.00           C  
HETATM   18  C   UNL     1       7.585  -2.970  -0.451  1.00  0.00           C  
HETATM   19  C   UNL     1     -19.452  -2.440   1.588  1.00  0.00           C  
HETATM   20  C   UNL     1     -20.393  -1.496   0.884  1.00  0.00           C  
HETATM   21  C   UNL     1     -19.965  -0.493   0.087  1.00  0.00           C  
HETATM   22  S   UNL     1     -21.385   0.352  -0.524  1.00  0.00           S  
HETATM   23  C   UNL     1     -14.487   0.794  -1.119  1.00  0.00           C  
HETATM   24  N   UNL     1     -13.684   0.709   0.104  1.00  0.00           N  
HETATM   25  O   UNL     1     -11.838   1.276  -0.989  1.00  0.00           O  
HETATM   26  C   UNL     1     -11.536   0.883   1.318  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.038   1.916   2.349  1.00  0.00           C  
HETATM   28  O   UNL     1     -10.953   3.879   3.346  1.00  0.00           O  
HETATM   29  C   UNL     1      -9.736   2.373   1.834  1.00  0.00           C  
HETATM   30  O   UNL     1      -9.745  -0.453  -0.396  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.959   1.071  -0.150  1.00  0.00           C  
HETATM   32  N   UNL     1      -7.057  -0.059  -0.389  1.00  0.00           N  
HETATM   33  O   UNL     1      -5.288   1.139   0.208  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.805  -1.082  -0.425  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.368  -0.662  -0.113  1.00  0.00           C  
HETATM   36  O   UNL     1      -2.488  -1.764  -0.346  1.00  0.00           O  
HETATM   37  C   UNL     1       2.048  -3.656  -0.365  1.00  0.00           C  
HETATM   38  N   UNL     1       3.461  -3.359  -0.094  1.00  0.00           N  
HETATM   39  C   UNL     1       5.719  -4.246   0.240  1.00  0.00           C  
HETATM   40  N   UNL     1       6.239  -3.252  -0.708  1.00  0.00           N  
HETATM   41  C   UNL     1       3.982  -2.365  -1.043  1.00  0.00           C  
HETATM   42  C   UNL     1       8.266  -2.051  -1.239  1.00  0.00           C  
HETATM   43  C   UNL     1       9.594  -1.773  -0.985  1.00  0.00           C  
HETATM   44  C   UNL     1      10.250  -2.412   0.059  1.00  0.00           C  
HETATM   45  N   UNL     1      11.597  -2.130   0.317  1.00  0.00           N  
HETATM   46  C   UNL     1      12.092  -0.860   0.095  1.00  0.00           C  
HETATM   47  N   UNL     1      11.247   0.104  -0.251  1.00  0.00           N  
HETATM   48  C   UNL     1      11.673   1.337  -0.474  1.00  0.00           C  
HETATM   49  C   UNL     1      13.032   1.608  -0.339  1.00  0.00           C  
HETATM   50  C   UNL     1      13.864   2.808  -0.495  1.00  0.00           C  
HETATM   51  O   UNL     1      13.480   3.919  -0.808  1.00  0.00           O  
HETATM   52  N   UNL     1      15.136   2.445  -0.226  1.00  0.00           N  
HETATM   53  C   UNL     1      16.297   3.338  -0.263  1.00  0.00           C  
HETATM   54  C   UNL     1      16.918   3.298  -1.635  1.00  0.00           C  
HETATM   55  C   UNL     1      17.092   4.408  -2.308  1.00  0.00           C  
HETATM   56  N   UNL     1      15.173   1.084   0.095  1.00  0.00           N  
HETATM   57  C   UNL     1      13.902   0.559   0.031  1.00  0.00           C  
HETATM   58  N   UNL     1      13.392  -0.645   0.241  1.00  0.00           N  
HETATM   59  C   UNL     1      16.321   0.369   0.427  1.00  0.00           C  
HETATM   60  C   UNL     1      16.246  -1.008   0.609  1.00  0.00           C  
HETATM   61  C   UNL     1      17.394  -1.706   0.938  1.00  0.00           C  
HETATM   62  C   UNL     1      18.582  -1.001   1.076  1.00  0.00           C  
HETATM   63  C   UNL     1      18.583   0.366   0.880  1.00  0.00           C  
HETATM   64  C   UNL     1      19.870   1.137   1.027  1.00  0.00           C  
HETATM   65  C   UNL     1      20.854   0.698  -0.060  1.00  0.00           C  
HETATM   66  C   UNL     1      19.587   2.633   0.884  1.00  0.00           C  
HETATM   67  O   UNL     1      20.435   0.879   2.314  1.00  0.00           O  
HETATM   68  C   UNL     1       9.569  -3.330   0.848  1.00  0.00           C  
HETATM   69  C   UNL     1       8.240  -3.604   0.597  1.00  0.00           C  
HETATM   70  C   UNL     1      -8.003   1.960  -1.395  1.00  0.00           C  
HETATM   71  C   UNL     1      -8.515   1.146  -2.585  1.00  0.00           C  
HETATM   72  C   UNL     1      -8.942   3.142  -1.144  1.00  0.00           C  
HETATM   73  C   UNL     1      -6.597   2.480  -1.700  1.00  0.00           C  
HETATM   74  C   UNL     1     -16.354  -0.855  -0.882  1.00  0.00           C  
HETATM   75  C   UNL     1     -17.666  -1.170  -0.594  1.00  0.00           C  
HETATM   76  H   UNL     1     -23.483  -0.669   0.345  1.00  0.00           H  
HETATM   77  H   UNL     1     -18.797   1.941   0.151  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.454   2.481  -0.369  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.372   3.734   1.310  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.996  -1.186   0.961  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.784  -0.660  -0.725  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.598  -3.536   0.278  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.386  -3.010  -1.409  1.00  0.00           H  
HETATM   84  H   UNL     1       1.533  -1.595  -0.726  1.00  0.00           H  
HETATM   85  H   UNL     1       1.320  -2.122   0.961  1.00  0.00           H  
HETATM   86  H   UNL     1       3.874  -5.301   0.596  1.00  0.00           H  
HETATM   87  H   UNL     1       4.240  -5.018  -1.123  1.00  0.00           H  
HETATM   88  H   UNL     1       5.461  -1.593   0.321  1.00  0.00           H  
HETATM   89  H   UNL     1       5.827  -1.310  -1.398  1.00  0.00           H  
HETATM   90  H   UNL     1     -19.314  -3.335   0.981  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.490  -1.950   1.736  1.00  0.00           H  
HETATM   92  H   UNL     1     -19.872  -2.717   2.555  1.00  0.00           H  
HETATM   93  H   UNL     1     -14.103   0.089  -1.856  1.00  0.00           H  
HETATM   94  H   UNL     1     -14.432   1.805  -1.520  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.103   0.464   0.943  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.601  -0.122   1.735  1.00  0.00           H  
HETATM   97  H   UNL     1     -11.961   1.523   3.362  1.00  0.00           H  
HETATM   98  H   UNL     1     -13.062   2.213   2.126  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.282   4.575   3.305  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.254   2.049   2.756  1.00  0.00           H  
HETATM  101  H   UNL     1      -9.069   3.021   1.265  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.597   1.651   0.698  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.413  -0.907  -0.699  1.00  0.00           H  
HETATM  104  H   UNL     1      -5.088  -1.916   0.218  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.876  -1.389  -1.469  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.085   0.171  -0.756  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.297  -0.355   0.931  1.00  0.00           H  
HETATM  108  H   UNL     1       1.719  -4.472   0.278  1.00  0.00           H  
HETATM  109  H   UNL     1       1.931  -3.945  -1.409  1.00  0.00           H  
HETATM  110  H   UNL     1       5.754  -3.838   1.251  1.00  0.00           H  
HETATM  111  H   UNL     1       6.327  -5.149   0.191  1.00  0.00           H  
HETATM  112  H   UNL     1       3.373  -1.462  -0.993  1.00  0.00           H  
HETATM  113  H   UNL     1       3.947  -2.773  -2.053  1.00  0.00           H  
HETATM  114  H   UNL     1       7.756  -1.554  -2.052  1.00  0.00           H  
HETATM  115  H   UNL     1      10.123  -1.058  -1.598  1.00  0.00           H  
HETATM  116  H   UNL     1      12.184  -2.827   0.651  1.00  0.00           H  
HETATM  117  H   UNL     1      10.981   2.116  -0.756  1.00  0.00           H  
HETATM  118  H   UNL     1      15.979   4.356  -0.037  1.00  0.00           H  
HETATM  119  H   UNL     1      17.029   3.013   0.477  1.00  0.00           H  
HETATM  120  H   UNL     1      17.219   2.353  -2.064  1.00  0.00           H  
HETATM  121  H   UNL     1      17.537   4.379  -3.292  1.00  0.00           H  
HETATM  122  H   UNL     1      16.790   5.352  -1.880  1.00  0.00           H  
HETATM  123  H   UNL     1      15.304  -1.525   0.495  1.00  0.00           H  
HETATM  124  H   UNL     1      17.366  -2.776   1.086  1.00  0.00           H  
HETATM  125  H   UNL     1      19.496  -1.517   1.332  1.00  0.00           H  
HETATM  126  H   UNL     1      20.423   0.895  -1.041  1.00  0.00           H  
HETATM  127  H   UNL     1      21.785   1.256   0.047  1.00  0.00           H  
HETATM  128  H   UNL     1      21.056  -0.368   0.042  1.00  0.00           H  
HETATM  129  H   UNL     1      18.885   2.946   1.658  1.00  0.00           H  
HETATM  130  H   UNL     1      20.517   3.191   0.991  1.00  0.00           H  
HETATM  131  H   UNL     1      19.155   2.830  -0.097  1.00  0.00           H  
HETATM  132  H   UNL     1      20.641  -0.052   2.474  1.00  0.00           H  
HETATM  133  H   UNL     1      10.080  -3.827   1.660  1.00  0.00           H  
HETATM  134  H   UNL     1       7.711  -4.318   1.211  1.00  0.00           H  
HETATM  135  H   UNL     1      -8.547   1.780  -3.471  1.00  0.00           H  
HETATM  136  H   UNL     1      -7.847   0.304  -2.764  1.00  0.00           H  
HETATM  137  H   UNL     1      -9.517   0.775  -2.368  1.00  0.00           H  
HETATM  138  H   UNL     1      -9.922   2.770  -0.846  1.00  0.00           H  
HETATM  139  H   UNL     1      -8.533   3.767  -0.350  1.00  0.00           H  
HETATM  140  H   UNL     1      -9.038   3.730  -2.056  1.00  0.00           H  
HETATM  141  H   UNL     1      -6.233   3.060  -0.852  1.00  0.00           H  
HETATM  142  H   UNL     1      -5.929   1.638  -1.879  1.00  0.00           H  
HETATM  143  H   UNL     1      -6.629   3.114  -2.586  1.00  0.00           H  
HETATM  144  H   UNL     1     -15.665  -1.634  -1.172  1.00  0.00           H  
HETATM  145  H   UNL     1     -18.003  -2.194  -0.657  1.00  0.00           H  
CONECT    1    3    3   20                                            
CONECT    2   29   26   11                                            
CONECT    3    1    1   22   76                                       
CONECT    4   21   75   75    5                                       
CONECT    5    4    6    6   77                                       
CONECT    6    5    5    7   78                                       
CONECT    7   74   74    6   23                                       
CONECT    8   25   25   24   26                                       
CONECT    9   59   63   63                                            
CONECT   10   27   29   28   79                                       
CONECT   11    2   31   30   30                                       
CONECT   12   32   33   33   34                                       
CONECT   13   14   36   80   81                                       
CONECT   14   15   13   82   83                                       
CONECT   15   37   14   84   85                                       
CONECT   16   39   38   86   87                                       
CONECT   17   41   40   88   89                                       
CONECT   18   42   42   69   40                                       
CONECT   19   20   90   91   92                                       
CONECT   20    1   19   21   21                                       
CONECT   21   20   20   22    4                                       
CONECT   22    3   21                                                 
CONECT   23    7   24   93   94                                       
CONECT   24   23    8   95                                            
CONECT   25    8    8                                                 
CONECT   26   27    8    2   96                                       
CONECT   27   10   26   97   98                                       
CONECT   28   10   99                                                 
CONECT   29   10    2  100  101                                       
CONECT   30   11   11                                                 
CONECT   31   70   11   32  102                                       
CONECT   32   31   12  103                                            
CONECT   33   12   12                                                 
CONECT   34   12   35  104  105                                       
CONECT   35   34   36  106  107                                       
CONECT   36   35   13                                                 
CONECT   37   38   15  108  109                                       
CONECT   38   16   41   37                                            
CONECT   39   16   40  110  111                                       
CONECT   40   18   39   17                                            
CONECT   41   38   17  112  113                                       
CONECT   42   43   18   18  114                                       
CONECT   43   44   44   42  115                                       
CONECT   44   45   43   43   68                                       
CONECT   45   46   44  116                                            
CONECT   46   47   45   58   58                                       
CONECT   47   48   48   46                                            
CONECT   48   47   47   49  117                                       
CONECT   49   48   50   57   57                                       
CONECT   50   51   51   49   52                                       
CONECT   51   50   50                                                 
CONECT   52   50   56   53                                            
CONECT   53   54   52  118  119                                       
CONECT   54   55   55   53  120                                       
CONECT   55   54   54  121  122                                       
CONECT   56   57   52   59                                            
CONECT   57   49   49   58   56                                       
CONECT   58   46   46   57                                            
CONECT   59   56   60   60    9                                       
CONECT   60   59   59   61  123                                       
CONECT   61   60   62   62  124                                       
CONECT   62   61   61   63  125                                       
CONECT   63    9    9   62   64                                       
CONECT   64   63   65   66   67                                       
CONECT   65   64  126  127  128                                       
CONECT   66   64  129  130  131                                       
CONECT   67   64  132                                                 
CONECT   68   44   69   69  133                                       
CONECT   69   68   68   18  134                                       
CONECT   70   73   72   71   31                                       
CONECT   71   70  135  136  137                                       
CONECT   72   70  138  139  140                                       
CONECT   73   70  141  142  143                                       
CONECT   74   75    7    7  144                                       
CONECT   75    4    4   74  145                                       
CONECT   76    3                                                      
CONECT   77    5                                                      
CONECT   78    6                                                      
CONECT   79   10                                                      
CONECT   80   13                                                      
CONECT   81   13                                                      
CONECT   82   14                                                      
CONECT   83   14                                                      
CONECT   84   15                                                      
CONECT   85   15                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   17                                                      
CONECT   89   17                                                      
CONECT   90   19                                                      
CONECT   91   19                                                      
CONECT   92   19                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   26                                                      
CONECT   97   27                                                      
CONECT   98   27                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   29                                                      
CONECT  102   31                                                      
CONECT  103   32                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   37                                                      
CONECT  109   37                                                      
CONECT  110   39                                                      
CONECT  111   39                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   45                                                      
CONECT  117   48                                                      
CONECT  118   53                                                      
CONECT  119   53                                                      
CONECT  120   54                                                      
CONECT  121   55                                                      
CONECT  122   55                                                      
CONECT  123   60                                                      
CONECT  124   61                                                      
CONECT  125   62                                                      
CONECT  126   65                                                      
CONECT  127   65                                                      
CONECT  128   65                                                      
CONECT  129   66                                                      
CONECT  130   66                                                      
CONECT  131   66                                                      
CONECT  132   67                                                      
CONECT  133   68                                                      
CONECT  134   69                                                      
CONECT  135   71                                                      
CONECT  136   71                                                      
CONECT  137   71                                                      
CONECT  138   72                                                      
CONECT  139   72                                                      
CONECT  140   72                                                      
CONECT  141   73                                                      
CONECT  142   73                                                      
CONECT  143   73                                                      
CONECT  144   74                                                      
CONECT  145   75                                                      
MASTER        0    0    0    0    0    0    0    0  145    0  145    0
END
