COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       9.482  -1.215  16.520  1.00  0.00           O  
HETATM    2  C   UNL     1      10.749  -0.799  16.022  1.00  0.00           C  
HETATM    3  C   UNL     1      10.591  -0.306  14.570  1.00  0.00           C  
HETATM    4  O   UNL     1       9.612   0.757  14.474  1.00  0.00           O  
HETATM    5  C   UNL     1      11.949   0.101  13.951  1.00  0.00           C  
HETATM    6  N   UNL     1      11.775   0.419  12.511  1.00  0.00           N  
HETATM    7  C   UNL     1      13.009  -1.018  14.092  1.00  0.00           C  
HETATM    8  C   UNL     1      13.093  -1.567  15.543  1.00  0.00           C  
HETATM    9  N   UNL     1      14.082  -2.663  15.663  1.00  0.00           N  
HETATM   10  C   UNL     1      11.728  -2.010  16.108  1.00  0.00           C  
HETATM   11  O   UNL     1      12.031  -2.359  17.471  1.00  0.00           O  
HETATM   12  C   UNL     1      11.055  -3.188  18.154  1.00  0.00           C  
HETATM   13  O   UNL     1      10.873  -4.462  17.467  1.00  0.00           O  
HETATM   14  C   UNL     1      11.490  -3.396  19.613  1.00  0.00           C  
HETATM   15  N   UNL     1      11.775  -2.083  20.245  1.00  0.00           N  
HETATM   16  C   UNL     1      12.702  -4.346  19.669  1.00  0.00           C  
HETATM   17  O   UNL     1      13.111  -4.608  21.017  1.00  0.00           O  
HETATM   18  C   UNL     1      12.358  -5.656  18.930  1.00  0.00           C  
HETATM   19  O   UNL     1      13.465  -6.542  18.951  1.00  0.00           O  
HETATM   20  C   UNL     1      12.061  -5.284  17.460  1.00  0.00           C  
HETATM   21  C   UNL     1      11.892  -6.419  16.439  1.00  0.00           C  
HETATM   22  N   UNL     1      10.827  -7.339  16.858  1.00  0.00           N  
HETATM   23  C   UNL     1      10.530  -8.433  16.138  1.00  0.00           C  
HETATM   24  O   UNL     1      11.113  -8.761  15.093  1.00  0.00           O  
HETATM   25  C   UNL     1       9.405  -9.305  16.741  1.00  0.00           C  
HETATM   26  C   UNL     1       9.913 -10.288  17.817  1.00  0.00           C  
HETATM   27  S   UNL     1      11.496 -11.078  17.363  1.00  0.00           S  
HETATM   28  C   UNL     1      10.877 -12.650  16.702  1.00  0.00           C  
HETATM   29  C   UNL     1      10.260 -12.312  15.534  1.00  0.00           C  
HETATM   30  N   UNL     1       8.971 -12.329  15.329  1.00  0.00           N  
HETATM   31  C   UNL     1       8.011 -12.703  16.136  1.00  0.00           C  
HETATM   32  O   UNL     1       8.140 -13.112  17.292  1.00  0.00           O  
HETATM   33  C   UNL     1       6.671 -12.600  15.446  1.00  0.00           C  
HETATM   34  C   UNL     1       5.928 -13.942  15.525  1.00  0.00           C  
HETATM   35  N   UNL     1       6.791 -15.105  15.176  1.00  0.00           N  
HETATM   36  C   UNL     1       7.239 -15.368  13.963  1.00  0.00           C  
HETATM   37  O   UNL     1       6.988 -14.678  12.977  1.00  0.00           O  
HETATM   38  C   UNL     1       8.113 -16.624  13.848  1.00  0.00           C  
HETATM   39  O   UNL     1       7.784 -17.588  14.896  1.00  0.00           O  
HETATM   40  C   UNL     1       9.640 -16.318  13.822  1.00  0.00           C  
HETATM   41  C   UNL     1      10.161 -15.999  15.249  1.00  0.00           C  
HETATM   42  C   UNL     1       9.989 -15.142  12.827  1.00  0.00           C  
HETATM   43  C   UNL     1      10.343 -17.620  13.349  1.00  0.00           C  
HETATM   44  O   UNL     1       9.943 -17.946  11.989  1.00  0.00           O  
HETATM   45  P   UNL     1       9.978 -19.392  11.322  1.00  0.00           P  
HETATM   46  O   UNL     1       9.981 -19.260   9.857  1.00  0.00           O  
HETATM   47  O   UNL     1       8.938 -20.242  11.978  1.00  0.00           O  
HETATM   48  O   UNL     1      11.396 -20.040  11.827  1.00  0.00           O  
HETATM   49  P   UNL     1      12.211 -21.248  11.046  1.00  0.00           P  
HETATM   50  O   UNL     1      13.169 -20.669  10.092  1.00  0.00           O  
HETATM   51  O   UNL     1      11.257 -22.283  10.563  1.00  0.00           O  
HETATM   52  O   UNL     1      12.976 -21.716  12.385  1.00  0.00           O  
HETATM   53  C   UNL     1      14.379 -21.421  12.593  1.00  0.00           C  
HETATM   54  C   UNL     1      14.971 -22.264  13.716  1.00  0.00           C  
HETATM   55  O   UNL     1      14.249 -21.955  14.955  1.00  0.00           O  
HETATM   56  C   UNL     1      14.787 -23.754  13.390  1.00  0.00           C  
HETATM   57  O   UNL     1      15.958 -24.542  13.741  1.00  0.00           O  
HETATM   58  P   UNL     1      17.244 -24.841  12.649  1.00  0.00           P  
HETATM   59  O   UNL     1      16.633 -25.604  11.344  1.00  0.00           O  
HETATM   60  O   UNL     1      18.283 -25.882  13.390  1.00  0.00           O  
HETATM   61  O   UNL     1      17.928 -23.633  12.143  1.00  0.00           O  
HETATM   62  C   UNL     1      13.576 -24.088  14.234  1.00  0.00           C  
HETATM   63  O   UNL     1      13.651 -25.485  14.540  1.00  0.00           O  
HETATM   64  C   UNL     1      13.634 -23.093  15.463  1.00  0.00           C  
HETATM   65  N   UNL     1      12.231 -22.756  15.892  1.00  0.00           N  
HETATM   66  C   UNL     1      11.296 -22.168  15.134  1.00  0.00           C  
HETATM   67  N   UNL     1      10.154 -22.063  15.808  1.00  0.00           N  
HETATM   68  C   UNL     1      10.339 -22.609  17.000  1.00  0.00           C  
HETATM   69  C   UNL     1      11.657 -23.052  17.053  1.00  0.00           C  
HETATM   70  N   UNL     1      12.113 -23.656  18.171  1.00  0.00           N  
HETATM   71  C   UNL     1      11.317 -23.819  19.220  1.00  0.00           C  
HETATM   72  N   UNL     1      10.049 -23.412  19.192  1.00  0.00           N  
HETATM   73  C   UNL     1       9.512 -22.814  18.115  1.00  0.00           C  
HETATM   74  N   UNL     1       8.230 -22.428  18.146  1.00  0.00           N  
HETATM   75  H   UNL     1       9.527  -1.308  17.464  1.00  0.00           H  
HETATM   76  H   UNL     1      11.154   0.032  16.618  1.00  0.00           H  
HETATM   77  H   UNL     1      10.211  -1.151  13.977  1.00  0.00           H  
HETATM   78  H   UNL     1      11.252  -2.845  15.573  1.00  0.00           H  
HETATM   79  H   UNL     1       9.398   1.070  15.345  1.00  0.00           H  
HETATM   80  H   UNL     1      12.304   0.986  14.499  1.00  0.00           H  
HETATM   81  H   UNL     1      11.736   1.411  12.391  1.00  0.00           H  
HETATM   82  H   UNL     1      12.547   0.051  11.993  1.00  0.00           H  
HETATM   83  H   UNL     1      12.737  -1.845  13.420  1.00  0.00           H  
HETATM   84  H   UNL     1      13.989  -0.591  13.833  1.00  0.00           H  
HETATM   85  H   UNL     1      13.434  -0.719  16.155  1.00  0.00           H  
HETATM   86  H   UNL     1      14.305  -3.013  14.753  1.00  0.00           H  
HETATM   87  H   UNL     1      14.912  -2.316  16.099  1.00  0.00           H  
HETATM   88  H   UNL     1      10.082  -2.675  18.145  1.00  0.00           H  
HETATM   89  H   UNL     1      10.676  -3.868  20.183  1.00  0.00           H  
HETATM   90  H   UNL     1      12.970  -4.779  17.102  1.00  0.00           H  
HETATM   91  H   UNL     1      11.839  -2.197  21.236  1.00  0.00           H  
HETATM   92  H   UNL     1      12.640  -1.725  19.894  1.00  0.00           H  
HETATM   93  H   UNL     1      13.552  -3.858  19.170  1.00  0.00           H  
HETATM   94  H   UNL     1      14.059  -4.666  21.055  1.00  0.00           H  
HETATM   95  H   UNL     1      11.501  -6.147  19.413  1.00  0.00           H  
HETATM   96  H   UNL     1      13.729  -6.740  18.060  1.00  0.00           H  
HETATM   97  H   UNL     1      11.630  -5.987  15.462  1.00  0.00           H  
HETATM   98  H   UNL     1      12.837  -6.978  16.371  1.00  0.00           H  
HETATM   99  H   UNL     1      10.314  -7.147  17.694  1.00  0.00           H  
HETATM  100  H   UNL     1       8.663  -8.639  17.205  1.00  0.00           H  
HETATM  101  H   UNL     1       8.976  -9.903  15.923  1.00  0.00           H  
HETATM  102  H   UNL     1      10.060  -9.731  18.754  1.00  0.00           H  
HETATM  103  H   UNL     1       9.161 -11.084  17.922  1.00  0.00           H  
HETATM  104  H   UNL     1      11.700 -13.358  16.525  1.00  0.00           H  
HETATM  105  H   UNL     1      10.194 -13.155  17.402  1.00  0.00           H  
HETATM  106  H   UNL     1      10.889 -12.005  14.712  1.00  0.00           H  
HETATM  107  H   UNL     1       6.069 -11.823  15.939  1.00  0.00           H  
HETATM  108  H   UNL     1       6.831 -12.340  14.389  1.00  0.00           H  
HETATM  109  H   UNL     1       5.566 -14.077  16.555  1.00  0.00           H  
HETATM  110  H   UNL     1       5.105 -13.909  14.796  1.00  0.00           H  
HETATM  111  H   UNL     1       7.049 -15.730  15.913  1.00  0.00           H  
HETATM  112  H   UNL     1       7.879 -17.072  12.871  1.00  0.00           H  
HETATM  113  H   UNL     1       7.713 -18.456  14.517  1.00  0.00           H  
HETATM  114  H   UNL     1      11.258 -15.924  15.231  1.00  0.00           H  
HETATM  115  H   UNL     1       9.734 -15.045  15.590  1.00  0.00           H  
HETATM  116  H   UNL     1       9.860 -16.803  15.937  1.00  0.00           H  
HETATM  117  H   UNL     1      10.070 -14.199  13.387  1.00  0.00           H  
HETATM  118  H   UNL     1      10.946 -15.356  12.328  1.00  0.00           H  
HETATM  119  H   UNL     1       9.194 -15.052  12.072  1.00  0.00           H  
HETATM  120  H   UNL     1      11.433 -17.474  13.380  1.00  0.00           H  
HETATM  121  H   UNL     1      10.052 -18.446  14.015  1.00  0.00           H  
HETATM  122  H   UNL     1       9.195 -20.422  12.875  1.00  0.00           H  
HETATM  123  H   UNL     1      11.054 -22.125   9.649  1.00  0.00           H  
HETATM  124  H   UNL     1      14.927 -21.635  11.664  1.00  0.00           H  
HETATM  125  H   UNL     1      14.470 -20.361  12.873  1.00  0.00           H  
HETATM  126  H   UNL     1      16.043 -22.043  13.828  1.00  0.00           H  
HETATM  127  H   UNL     1      14.655 -23.973  12.320  1.00  0.00           H  
HETATM  128  H   UNL     1      14.166 -23.512  16.330  1.00  0.00           H  
HETATM  129  H   UNL     1      12.595 -23.949  13.757  1.00  0.00           H  
HETATM  130  H   UNL     1      16.514 -24.979  10.638  1.00  0.00           H  
HETATM  131  H   UNL     1      18.483 -26.602  12.803  1.00  0.00           H  
HETATM  132  H   UNL     1      13.668 -25.986  13.733  1.00  0.00           H  
HETATM  133  H   UNL     1      11.448 -21.828  14.120  1.00  0.00           H  
HETATM  134  H   UNL     1      11.704 -24.290  20.112  1.00  0.00           H  
HETATM  135  H   UNL     1       7.933 -22.332  19.096  1.00  0.00           H  
HETATM  136  H   UNL     1       8.135 -21.550  17.677  1.00  0.00           H  
CONECT    1    2   75                                                 
CONECT    2    1    3   10   76                                       
CONECT    3    2    4    5   77                                       
CONECT    4    3   79                                                 
CONECT    5    3    6    7   80                                       
CONECT    6    5   81   82                                            
CONECT    7    5    8   83   84                                       
CONECT    8    7    9   10   85                                       
CONECT    9    8   86   87                                            
CONECT   10    2    8   11   78                                       
CONECT   11   10   12                                                 
CONECT   12   11   13   14   88                                       
CONECT   13   12   20                                                 
CONECT   14   12   15   16   89                                       
CONECT   15   14   91   92                                            
CONECT   16   14   17   18   93                                       
CONECT   17   16   94                                                 
CONECT   18   16   19   20   95                                       
CONECT   19   18   96                                                 
CONECT   20   13   18   21   90                                       
CONECT   21   20   22   97   98                                       
CONECT   22   21   23   99                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26  100  101                                       
CONECT   26   25   27  102  103                                       
CONECT   27   26   28                                                 
CONECT   28   27   29  104  105                                       
CONECT   29   28   30   30  106                                       
CONECT   30   29   29   31                                            
CONECT   31   30   32   32   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34  107  108                                       
CONECT   34   33   35  109  110                                       
CONECT   35   34   36  111                                            
CONECT   36   35   37   37   38                                       
CONECT   37   36   36                                                 
CONECT   38   36   39   40  112                                       
CONECT   39   38  113                                                 
CONECT   40   38   41   42   43                                       
CONECT   41   40  114  115  116                                       
CONECT   42   40  117  118  119                                       
CONECT   43   40   44  120  121                                       
CONECT   44   43   45                                                 
CONECT   45   44   46   46   47                                       
CONECT   45   48                                                      
CONECT   46   45   45                                                 
CONECT   47   45  122                                                 
CONECT   48   45   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   49   52                                                      
CONECT   50   49   49                                                 
CONECT   51   49  123                                                 
CONECT   52   49   53                                                 
CONECT   53   52   54  124  125                                       
CONECT   54   53   55   56  126                                       
CONECT   55   54   64                                                 
CONECT   56   54   57   62  127                                       
CONECT   57   56   58                                                 
CONECT   58   57   59   60   61                                       
CONECT   58   61                                                      
CONECT   59   58  130                                                 
CONECT   60   58  131                                                 
CONECT   61   58   58                                                 
CONECT   62   56   63   64  129                                       
CONECT   63   62  132                                                 
CONECT   64   55   62   65  128                                       
CONECT   65   64   66   69                                            
CONECT   66   65   67   67  133                                       
CONECT   67   66   66   68                                            
CONECT   68   67   69   73   73                                       
CONECT   69   65   68   70   70                                       
CONECT   70   69   69   71                                            
CONECT   71   70   72   72  134                                       
CONECT   72   71   71   73                                            
CONECT   73   68   68   72   74                                       
CONECT   74   73  135  136                                            
CONECT   75    1                                                      
CONECT   76    2                                                      
CONECT   77    3                                                      
CONECT   78   10                                                      
CONECT   79    4                                                      
CONECT   80    5                                                      
CONECT   81    6                                                      
CONECT   82    6                                                      
CONECT   83    7                                                      
CONECT   84    7                                                      
CONECT   85    8                                                      
CONECT   86    9                                                      
CONECT   87    9                                                      
CONECT   88   12                                                      
CONECT   89   14                                                      
CONECT   90   20                                                      
CONECT   91   15                                                      
CONECT   92   15                                                      
CONECT   93   16                                                      
CONECT   94   17                                                      
CONECT   95   18                                                      
CONECT   96   19                                                      
CONECT   97   21                                                      
CONECT   98   21                                                      
CONECT   99   22                                                      
CONECT  100   25                                                      
CONECT  101   25                                                      
CONECT  102   26                                                      
CONECT  103   26                                                      
CONECT  104   28                                                      
CONECT  105   28                                                      
CONECT  106   29                                                      
CONECT  107   33                                                      
CONECT  108   33                                                      
CONECT  109   34                                                      
CONECT  110   34                                                      
CONECT  111   35                                                      
CONECT  112   38                                                      
CONECT  113   39                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   41                                                      
CONECT  117   42                                                      
CONECT  118   42                                                      
CONECT  119   42                                                      
CONECT  120   43                                                      
CONECT  121   43                                                      
CONECT  122   47                                                      
CONECT  123   51                                                      
CONECT  124   53                                                      
CONECT  125   53                                                      
CONECT  126   54                                                      
CONECT  127   56                                                      
CONECT  128   64                                                      
CONECT  129   62                                                      
CONECT  130   59                                                      
CONECT  131   60                                                      
CONECT  132   63                                                      
CONECT  133   66                                                      
CONECT  134   71                                                      
CONECT  135   74                                                      
CONECT  136   74                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
