COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -12.832   2.632   0.148  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.269   3.141  -1.008  1.00  0.00           C  
HETATM    3  C   UNL     1     -10.951   3.550  -1.015  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.187   3.450   0.145  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.759   2.936   1.308  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.078   2.530   1.304  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.769   3.888   0.144  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.199   4.406  -1.017  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.124   4.706   0.141  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.687   4.196   1.297  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.005   3.787   1.304  1.00  0.00           C  
HETATM   12  N   UNL     1     -14.543   0.517  -0.273  1.00  0.00           N  
HETATM   13  O   UNL     1      14.254  -2.385  -0.605  1.00  0.00           O  
HETATM   14  C   UNL     1      13.498  -2.525   0.333  1.00  0.00           C  
HETATM   15  N   UNL     1      13.792  -3.406   1.310  1.00  0.00           N  
HETATM   16  O   UNL     1      14.984  -4.167   1.242  1.00  0.00           O  
HETATM   17  C   UNL     1      12.229  -1.715   0.405  1.00  0.00           C  
HETATM   18  N   UNL     1      12.251  -0.681  -0.632  1.00  0.00           N  
HETATM   19  S   UNL     1      12.000   0.905  -0.226  1.00  0.00           S  
HETATM   20  O   UNL     1      11.372   0.898   1.049  1.00  0.00           O  
HETATM   21  C   UNL     1      13.584   1.641   0.004  1.00  0.00           C  
HETATM   22  C   UNL     1      14.232   2.230  -1.066  1.00  0.00           C  
HETATM   23  C   UNL     1      15.473   2.809  -0.892  1.00  0.00           C  
HETATM   24  C   UNL     1      16.073   2.797   0.366  1.00  0.00           C  
HETATM   25  C   UNL     1      17.407   3.418   0.560  1.00  0.00           C  
HETATM   26  C   UNL     1      18.008   3.407   1.817  1.00  0.00           C  
HETATM   27  C   UNL     1      19.249   3.985   1.992  1.00  0.00           C  
HETATM   28  C   UNL     1      19.896   4.575   0.921  1.00  0.00           C  
HETATM   29  C   UNL     1      19.305   4.589  -0.329  1.00  0.00           C  
HETATM   30  C   UNL     1      18.067   4.009  -0.516  1.00  0.00           C  
HETATM   31  C   UNL     1      15.416   2.202   1.441  1.00  0.00           C  
HETATM   32  C   UNL     1      14.173   1.632   1.256  1.00  0.00           C  
HETATM   33  O   UNL     1      11.431   1.527  -1.370  1.00  0.00           O  
HETATM   34  O   UNL     1      12.486  -1.037  -1.982  1.00  0.00           O  
HETATM   35  C   UNL     1      11.295  -1.220  -2.751  1.00  0.00           C  
HETATM   36  C   UNL     1      11.241  -0.172  -3.865  1.00  0.00           C  
HETATM   37  C   UNL     1      11.295  -2.620  -3.368  1.00  0.00           C  
HETATM   38  C   UNL     1      11.025  -2.633   0.186  1.00  0.00           C  
HETATM   39  C   UNL     1       9.734  -1.836   0.382  1.00  0.00           C  
HETATM   40  N   UNL     1       8.581  -2.715   0.172  1.00  0.00           N  
HETATM   41  C   UNL     1       7.330  -2.226   0.294  1.00  0.00           C  
HETATM   42  O   UNL     1       7.160  -1.059   0.577  1.00  0.00           O  
HETATM   43  C   UNL     1       6.144  -3.130   0.078  1.00  0.00           C  
HETATM   44  C   UNL     1       4.853  -2.333   0.274  1.00  0.00           C  
HETATM   45  C   UNL     1       3.649  -3.251   0.055  1.00  0.00           C  
HETATM   46  N   UNL     1       2.412  -2.488   0.243  1.00  0.00           N  
HETATM   47  C   UNL     1       1.217  -3.094   0.099  1.00  0.00           C  
HETATM   48  O   UNL     1       1.165  -4.274  -0.187  1.00  0.00           O  
HETATM   49  C   UNL     1      -0.030  -2.324   0.289  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.266  -2.949   0.140  1.00  0.00           C  
HETATM   51  C   UNL     1       0.028  -0.969   0.623  1.00  0.00           C  
HETATM   52  C   UNL     1      -1.137  -0.248   0.801  1.00  0.00           C  
HETATM   53  C   UNL     1      -2.365  -0.860   0.649  1.00  0.00           C  
HETATM   54  C   UNL     1      -2.437  -2.216   0.321  1.00  0.00           C  
HETATM   55  C   UNL     1      -3.753  -2.872   0.166  1.00  0.00           C  
HETATM   56  O   UNL     1      -3.815  -4.052  -0.120  1.00  0.00           O  
HETATM   57  N   UNL     1      -4.885  -2.161   0.341  1.00  0.00           N  
HETATM   58  C   UNL     1      -6.189  -2.811   0.187  1.00  0.00           C  
HETATM   59  C   UNL     1      -7.300  -1.789   0.437  1.00  0.00           C  
HETATM   60  C   UNL     1      -8.662  -2.468   0.277  1.00  0.00           C  
HETATM   61  C   UNL     1      -9.757  -1.462   0.523  1.00  0.00           C  
HETATM   62  O   UNL     1      -9.475  -0.315   0.800  1.00  0.00           O  
HETATM   63  N   UNL     1     -11.049  -1.836   0.436  1.00  0.00           N  
HETATM   64  C   UNL     1     -12.113  -0.858   0.676  1.00  0.00           C  
HETATM   65  C   UNL     1     -13.475  -1.537   0.515  1.00  0.00           C  
HETATM   66  C   UNL     1     -14.586  -0.515   0.765  1.00  0.00           C  
HETATM   67  C   UNL     1     -15.923  -1.209   0.728  1.00  0.00           C  
HETATM   68  O   UNL     1     -16.711  -0.960  -0.159  1.00  0.00           O  
HETATM   69  N   UNL     1     -16.244  -2.106   1.682  1.00  0.00           N  
HETATM   70  O   UNL     1     -17.500  -2.758   1.647  1.00  0.00           O  
HETATM   71  O   UNL     1     -14.523   0.147  -1.639  1.00  0.00           O  
HETATM   72  C   UNL     1     -15.819   0.033  -2.229  1.00  0.00           C  
HETATM   73  C   UNL     1     -15.923   0.986  -3.422  1.00  0.00           C  
HETATM   74  C   UNL     1     -16.038  -1.405  -2.705  1.00  0.00           C  
HETATM   75  S   UNL     1     -14.517   2.118   0.152  1.00  0.00           S  
HETATM   76  O   UNL     1     -14.953   2.181   1.503  1.00  0.00           O  
HETATM   77  O   UNL     1     -15.154   2.824  -0.904  1.00  0.00           O  
HETATM   78  C   UNL     1      -6.880   4.812  -1.013  1.00  0.00           C  
HETATM   79  H   UNL     1     -12.862   3.218  -1.907  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.513   3.947  -1.919  1.00  0.00           H  
HETATM   81  H   UNL     1     -10.171   2.856   2.210  1.00  0.00           H  
HETATM   82  H   UNL     1     -12.522   2.131   2.204  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.788   4.490  -1.918  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.092   5.024   0.139  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.093   4.119   2.196  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.443   3.390   2.208  1.00  0.00           H  
HETATM   87  H   UNL     1      13.187  -3.518   2.060  1.00  0.00           H  
HETATM   88  H   UNL     1      15.108  -4.771   1.987  1.00  0.00           H  
HETATM   89  H   UNL     1      12.154  -1.245   1.386  1.00  0.00           H  
HETATM   90  H   UNL     1      13.766   2.238  -2.040  1.00  0.00           H  
HETATM   91  H   UNL     1      15.978   3.269  -1.728  1.00  0.00           H  
HETATM   92  H   UNL     1      17.503   2.947   2.654  1.00  0.00           H  
HETATM   93  H   UNL     1      19.715   3.977   2.966  1.00  0.00           H  
HETATM   94  H   UNL     1      20.867   5.027   1.062  1.00  0.00           H  
HETATM   95  H   UNL     1      19.815   5.051  -1.161  1.00  0.00           H  
HETATM   96  H   UNL     1      17.606   4.020  -1.493  1.00  0.00           H  
HETATM   97  H   UNL     1      15.877   2.191   2.417  1.00  0.00           H  
HETATM   98  H   UNL     1      13.661   1.174   2.089  1.00  0.00           H  
HETATM   99  H   UNL     1      10.424  -1.108  -2.105  1.00  0.00           H  
HETATM  100  H   UNL     1      10.347  -0.329  -4.468  1.00  0.00           H  
HETATM  101  H   UNL     1      11.212   0.825  -3.425  1.00  0.00           H  
HETATM  102  H   UNL     1      12.125  -0.266  -4.495  1.00  0.00           H  
HETATM  103  H   UNL     1      11.334  -3.366  -2.574  1.00  0.00           H  
HETATM  104  H   UNL     1      10.387  -2.759  -3.954  1.00  0.00           H  
HETATM  105  H   UNL     1      12.166  -2.732  -4.014  1.00  0.00           H  
HETATM  106  H   UNL     1      11.054  -3.034  -0.827  1.00  0.00           H  
HETATM  107  H   UNL     1      11.058  -3.454   0.902  1.00  0.00           H  
HETATM  108  H   UNL     1       9.705  -1.435   1.395  1.00  0.00           H  
HETATM  109  H   UNL     1       9.701  -1.015  -0.335  1.00  0.00           H  
HETATM  110  H   UNL     1       8.717  -3.648  -0.054  1.00  0.00           H  
HETATM  111  H   UNL     1       6.173  -3.531  -0.936  1.00  0.00           H  
HETATM  112  H   UNL     1       6.177  -3.951   0.794  1.00  0.00           H  
HETATM  113  H   UNL     1       4.824  -1.932   1.287  1.00  0.00           H  
HETATM  114  H   UNL     1       4.820  -1.513  -0.443  1.00  0.00           H  
HETATM  115  H   UNL     1       3.677  -3.652  -0.959  1.00  0.00           H  
HETATM  116  H   UNL     1       3.682  -4.071   0.771  1.00  0.00           H  
HETATM  117  H   UNL     1       2.454  -1.546   0.471  1.00  0.00           H  
HETATM  118  H   UNL     1      -1.317  -3.997  -0.114  1.00  0.00           H  
HETATM  119  H   UNL     1       0.985  -0.484   0.743  1.00  0.00           H  
HETATM  120  H   UNL     1      -1.086   0.799   1.060  1.00  0.00           H  
HETATM  121  H   UNL     1      -3.272  -0.291   0.790  1.00  0.00           H  
HETATM  122  H   UNL     1      -4.836  -1.219   0.569  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.281  -3.207  -0.824  1.00  0.00           H  
HETATM  124  H   UNL     1      -6.276  -3.626   0.906  1.00  0.00           H  
HETATM  125  H   UNL     1      -7.209  -1.393   1.449  1.00  0.00           H  
HETATM  126  H   UNL     1      -7.213  -0.974  -0.281  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.754  -2.864  -0.735  1.00  0.00           H  
HETATM  128  H   UNL     1      -8.749  -3.283   0.995  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.274  -2.753   0.214  1.00  0.00           H  
HETATM  130  H   UNL     1     -12.021  -0.462   1.687  1.00  0.00           H  
HETATM  131  H   UNL     1     -12.026  -0.043  -0.043  1.00  0.00           H  
HETATM  132  H   UNL     1     -13.566  -1.933  -0.496  1.00  0.00           H  
HETATM  133  H   UNL     1     -13.561  -2.352   1.234  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.443  -0.055   1.743  1.00  0.00           H  
HETATM  135  H   UNL     1     -15.614  -2.305   2.392  1.00  0.00           H  
HETATM  136  H   UNL     1     -17.639  -3.383   2.372  1.00  0.00           H  
HETATM  137  H   UNL     1     -16.579   0.291  -1.491  1.00  0.00           H  
HETATM  138  H   UNL     1     -15.884   2.016  -3.068  1.00  0.00           H  
HETATM  139  H   UNL     1     -15.093   0.805  -4.105  1.00  0.00           H  
HETATM  140  H   UNL     1     -16.865   0.816  -3.942  1.00  0.00           H  
HETATM  141  H   UNL     1     -15.964  -2.084  -1.856  1.00  0.00           H  
HETATM  142  H   UNL     1     -17.027  -1.492  -3.155  1.00  0.00           H  
HETATM  143  H   UNL     1     -15.278  -1.663  -3.443  1.00  0.00           H  
HETATM  144  H   UNL     1      -6.437   5.214  -1.912  1.00  0.00           H  
CONECT    1   75    6    6    2                                       
CONECT    2    1    3    3   79                                       
CONECT    3    2    2    4   80                                       
CONECT    4    5    5    3    7                                       
CONECT    5    6    4    4   81                                       
CONECT    6    1    1    5   82                                       
CONECT    7    8    4   11   11                                       
CONECT    8   78   78    7   83                                       
CONECT    9   78   10   10   84                                       
CONECT   10    9    9   11   85                                       
CONECT   11    7    7   10   86                                       
CONECT   12   75   71   66                                            
CONECT   13   14   14                                                 
CONECT   14   13   13   15   17                                       
CONECT   15   16   14   87                                            
CONECT   16   15   88                                                 
CONECT   17   18   14   38   89                                       
CONECT   18   34   19   17                                            
CONECT   19   20   20   18   21                                       
CONECT   19   33   33                                                 
CONECT   20   19   19                                                 
CONECT   21   19   22   22   32                                       
CONECT   22   21   21   23   90                                       
CONECT   23   22   24   24   91                                       
CONECT   24   23   23   31   25                                       
CONECT   25   30   24   26   26                                       
CONECT   26   25   25   27   92                                       
CONECT   27   28   28   26   93                                       
CONECT   28   29   27   27   94                                       
CONECT   29   30   30   28   95                                       
CONECT   30   29   29   25   96                                       
CONECT   31   32   32   24   97                                       
CONECT   32   21   31   31   98                                       
CONECT   33   19   19                                                 
CONECT   34   35   18                                                 
CONECT   35   37   36   34   99                                       
CONECT   36   35  100  101  102                                       
CONECT   37   35  103  104  105                                       
CONECT   38   17   39  106  107                                       
CONECT   39   38   40  108  109                                       
CONECT   40   39   41  110                                            
CONECT   41   40   43   42   42                                       
CONECT   42   41   41                                                 
CONECT   43   41   44  111  112                                       
CONECT   44   43   45  113  114                                       
CONECT   45   44   46  115  116                                       
CONECT   46   45   47  117                                            
CONECT   47   46   48   48   49                                       
CONECT   48   47   47                                                 
CONECT   49   47   50   50   51                                       
CONECT   50   49   49   54  118                                       
CONECT   51   49   52   52  119                                       
CONECT   52   51   51   53  120                                       
CONECT   53   54   54   52  121                                       
CONECT   54   50   55   53   53                                       
CONECT   55   54   57   56   56                                       
CONECT   56   55   55                                                 
CONECT   57   58   55  122                                            
CONECT   58   59   57  123  124                                       
CONECT   59   60   58  125  126                                       
CONECT   60   61   59  127  128                                       
CONECT   61   63   62   62   60                                       
CONECT   62   61   61                                                 
CONECT   63   64   61  129                                            
CONECT   64   65   63  130  131                                       
CONECT   65   66   64  132  133                                       
CONECT   66   12   67   65  134                                       
CONECT   67   66   69   68   68                                       
CONECT   68   67   67                                                 
CONECT   69   67   70  135                                            
CONECT   70   69  136                                                 
CONECT   71   12   72                                                 
CONECT   72   71   73   74  137                                       
CONECT   73   72  138  139  140                                       
CONECT   74   72  141  142  143                                       
CONECT   75   77   77   76   76                                       
CONECT   75    1   12                                                 
CONECT   76   75   75                                                 
CONECT   77   75   75                                                 
CONECT   78    8    8    9  144                                       
CONECT   79    2                                                      
CONECT   80    3                                                      
CONECT   81    5                                                      
CONECT   82    6                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85   10                                                      
CONECT   86   11                                                      
CONECT   87   15                                                      
CONECT   88   16                                                      
CONECT   89   17                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   36                                                      
CONECT  103   37                                                      
CONECT  104   37                                                      
CONECT  105   37                                                      
CONECT  106   38                                                      
CONECT  107   38                                                      
CONECT  108   39                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   43                                                      
CONECT  112   43                                                      
CONECT  113   44                                                      
CONECT  114   44                                                      
CONECT  115   45                                                      
CONECT  116   45                                                      
CONECT  117   46                                                      
CONECT  118   50                                                      
CONECT  119   51                                                      
CONECT  120   52                                                      
CONECT  121   53                                                      
CONECT  122   57                                                      
CONECT  123   58                                                      
CONECT  124   58                                                      
CONECT  125   59                                                      
CONECT  126   59                                                      
CONECT  127   60                                                      
CONECT  128   60                                                      
CONECT  129   63                                                      
CONECT  130   64                                                      
CONECT  131   64                                                      
CONECT  132   65                                                      
CONECT  133   65                                                      
CONECT  134   66                                                      
CONECT  135   69                                                      
CONECT  136   70                                                      
CONECT  137   72                                                      
CONECT  138   73                                                      
CONECT  139   73                                                      
CONECT  140   73                                                      
CONECT  141   74                                                      
CONECT  142   74                                                      
CONECT  143   74                                                      
CONECT  144   78                                                      
MASTER        0    0    0    0    0    0    0    0  144    0  144    0
END
