COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      72.499 -55.081  -2.898  1.00  0.00           C  
HETATM    2  O   UNL     1      73.083 -54.369  -3.962  1.00  0.00           O  
HETATM    3  C   UNL     1      72.373 -53.386  -4.565  1.00  0.00           C  
HETATM    4  C   UNL     1      72.454 -52.315  -3.574  1.00  0.00           C  
HETATM    5  C   UNL     1      70.917 -53.639  -4.766  1.00  0.00           C  
HETATM    6  C   UNL     1      73.090 -52.976  -5.804  1.00  0.00           C  
HETATM    7  O   UNL     1      74.434 -53.137  -5.608  1.00  0.00           O  
HETATM    8  C   UNL     1      72.768 -53.872  -6.905  1.00  0.00           C  
HETATM    9  C   UNL     1      73.386 -53.225  -8.098  1.00  0.00           C  
HETATM   10  O   UNL     1      71.389 -53.871  -7.099  1.00  0.00           O  
HETATM   11  C   UNL     1      70.550 -54.221  -6.078  1.00  0.00           C  
HETATM   12  O   UNL     1      70.820 -55.498  -5.975  1.00  0.00           O  
HETATM   13  C   UNL     1      69.944 -56.413  -6.615  1.00  0.00           C  
HETATM   14  C   UNL     1      70.676 -57.659  -6.959  1.00  0.00           C  
HETATM   15  C   UNL     1      71.408 -58.102  -5.729  1.00  0.00           C  
HETATM   16  C   UNL     1      68.743 -56.799  -5.781  1.00  0.00           C  
HETATM   17  C   UNL     1      68.505 -55.849  -4.634  1.00  0.00           C  
HETATM   18  C   UNL     1      67.637 -56.823  -6.588  1.00  0.00           C  
HETATM   19  O   UNL     1      67.077 -55.806  -6.915  1.00  0.00           O  
HETATM   20  O   UNL     1      67.244 -58.044  -6.995  1.00  0.00           O  
HETATM   21  C   UNL     1      66.094 -58.172  -7.773  1.00  0.00           C  
HETATM   22  C   UNL     1      65.021 -58.666  -6.866  1.00  0.00           C  
HETATM   23  C   UNL     1      64.238 -57.500  -6.320  1.00  0.00           C  
HETATM   24  C   UNL     1      66.313 -59.221  -8.819  1.00  0.00           C  
HETATM   25  C   UNL     1      66.838 -60.464  -8.123  1.00  0.00           C  
HETATM   26  O   UNL     1      65.149 -59.543  -9.442  1.00  0.00           O  
HETATM   27  C   UNL     1      67.272 -58.732  -9.854  1.00  0.00           C  
HETATM   28  C   UNL     1      68.042 -59.808 -10.620  1.00  0.00           C  
HETATM   29  C   UNL     1      67.126 -60.459 -11.635  1.00  0.00           C  
HETATM   30  O   UNL     1      66.731 -57.918 -10.843  1.00  0.00           O  
HETATM   31  C   UNL     1      67.802 -57.141 -11.521  1.00  0.00           C  
HETATM   32  C   UNL     1      67.641 -56.928 -12.995  1.00  0.00           C  
HETATM   33  O   UNL     1      68.925 -56.534 -13.393  1.00  0.00           O  
HETATM   34  C   UNL     1      69.603 -57.560 -14.111  1.00  0.00           C  
HETATM   35  C   UNL     1      70.941 -57.040 -14.601  1.00  0.00           C  
HETATM   36  O   UNL     1      70.729 -55.986 -15.505  1.00  0.00           O  
HETATM   37  C   UNL     1      70.512 -54.817 -14.748  1.00  0.00           C  
HETATM   38  N   UNL     1      69.168 -57.660 -11.421  1.00  0.00           N  
HETATM   39  C   UNL     1      69.165 -59.133 -11.414  1.00  0.00           C  
HETATM   40  C   UNL     1      70.481 -59.495 -10.929  1.00  0.00           C  
HETATM   41  C   UNL     1      70.624 -60.965 -10.933  1.00  0.00           C  
HETATM   42  C   UNL     1      70.613 -59.004  -9.541  1.00  0.00           C  
HETATM   43  C   UNL     1      70.982 -57.568  -9.387  1.00  0.00           C  
HETATM   44  C   UNL     1      71.934 -57.102 -10.448  1.00  0.00           C  
HETATM   45  O   UNL     1      69.894 -56.793  -9.568  1.00  0.00           O  
HETATM   46  C   UNL     1      71.616 -57.345  -8.081  1.00  0.00           C  
HETATM   47  O   UNL     1      72.715 -58.136  -8.080  1.00  0.00           O  
HETATM   48  C   UNL     1      73.787 -57.664  -7.479  1.00  0.00           C  
HETATM   49  C   UNL     1      74.718 -58.804  -7.343  1.00  0.00           C  
HETATM   50  O   UNL     1      74.355 -59.523  -6.248  1.00  0.00           O  
HETATM   51  O   UNL     1      74.241 -56.879  -8.516  1.00  0.00           O  
HETATM   52  C   UNL     1      75.442 -56.258  -8.331  1.00  0.00           C  
HETATM   53  C   UNL     1      75.714 -55.509  -9.564  1.00  0.00           C  
HETATM   54  C   UNL     1      76.469 -57.283  -8.287  1.00  0.00           C  
HETATM   55  C   UNL     1      76.152 -58.256  -7.197  1.00  0.00           C  
HETATM   56  N   UNL     1      77.212 -59.234  -7.207  1.00  0.00           N  
HETATM   57  C   UNL     1      78.241 -58.590  -6.475  1.00  0.00           C  
HETATM   58  C   UNL     1      76.949 -60.261  -6.273  1.00  0.00           C  
HETATM   59  H   UNL     1      73.208 -55.836  -2.528  1.00  0.00           H  
HETATM   60  H   UNL     1      72.248 -54.384  -2.085  1.00  0.00           H  
HETATM   61  H   UNL     1      71.583 -55.579  -3.249  1.00  0.00           H  
HETATM   62  H   UNL     1      71.924 -52.620  -2.660  1.00  0.00           H  
HETATM   63  H   UNL     1      73.509 -52.115  -3.336  1.00  0.00           H  
HETATM   64  H   UNL     1      71.990 -51.404  -3.980  1.00  0.00           H  
HETATM   65  H   UNL     1      70.388 -52.681  -4.660  1.00  0.00           H  
HETATM   66  H   UNL     1      70.581 -54.332  -3.981  1.00  0.00           H  
HETATM   67  H   UNL     1      72.834 -51.938  -6.063  1.00  0.00           H  
HETATM   68  H   UNL     1      74.720 -52.577  -4.896  1.00  0.00           H  
HETATM   69  H   UNL     1      73.175 -54.881  -6.743  1.00  0.00           H  
HETATM   70  H   UNL     1      74.480 -53.207  -7.981  1.00  0.00           H  
HETATM   71  H   UNL     1      73.123 -53.795  -9.001  1.00  0.00           H  
HETATM   72  H   UNL     1      73.011 -52.195  -8.192  1.00  0.00           H  
HETATM   73  H   UNL     1      69.495 -54.014  -6.312  1.00  0.00           H  
HETATM   74  H   UNL     1      69.575 -55.963  -7.549  1.00  0.00           H  
HETATM   75  H   UNL     1      69.966 -58.439  -7.273  1.00  0.00           H  
HETATM   76  H   UNL     1      70.684 -58.322  -4.930  1.00  0.00           H  
HETATM   77  H   UNL     1      71.991 -59.007  -5.955  1.00  0.00           H  
HETATM   78  H   UNL     1      72.087 -57.302  -5.398  1.00  0.00           H  
HETATM   79  H   UNL     1      68.926 -57.800  -5.363  1.00  0.00           H  
HETATM   80  H   UNL     1      67.623 -56.176  -4.063  1.00  0.00           H  
HETATM   81  H   UNL     1      69.386 -55.842  -3.975  1.00  0.00           H  
HETATM   82  H   UNL     1      68.332 -54.836  -5.027  1.00  0.00           H  
HETATM   83  H   UNL     1      65.800 -57.219  -8.238  1.00  0.00           H  
HETATM   84  H   UNL     1      64.346 -59.329  -7.426  1.00  0.00           H  
HETATM   85  H   UNL     1      65.475 -59.223  -6.033  1.00  0.00           H  
HETATM   86  H   UNL     1      63.447 -57.870  -5.651  1.00  0.00           H  
HETATM   87  H   UNL     1      64.912 -56.836  -5.759  1.00  0.00           H  
HETATM   88  H   UNL     1      63.783 -56.942  -7.152  1.00  0.00           H  
HETATM   89  H   UNL     1      66.110 -60.798  -7.369  1.00  0.00           H  
HETATM   90  H   UNL     1      66.990 -61.263  -8.864  1.00  0.00           H  
HETATM   91  H   UNL     1      67.795 -60.233  -7.632  1.00  0.00           H  
HETATM   92  H   UNL     1      64.522 -59.857  -8.801  1.00  0.00           H  
HETATM   93  H   UNL     1      68.031 -58.143  -9.318  1.00  0.00           H  
HETATM   94  H   UNL     1      68.454 -60.557  -9.928  1.00  0.00           H  
HETATM   95  H   UNL     1      66.298 -60.961 -11.113  1.00  0.00           H  
HETATM   96  H   UNL     1      66.722 -59.690 -12.310  1.00  0.00           H  
HETATM   97  H   UNL     1      67.693 -61.199 -12.219  1.00  0.00           H  
HETATM   98  H   UNL     1      67.806 -56.142 -11.060  1.00  0.00           H  
HETATM   99  H   UNL     1      66.902 -56.140 -13.203  1.00  0.00           H  
HETATM  100  H   UNL     1      67.338 -57.857 -13.499  1.00  0.00           H  
HETATM  101  H   UNL     1      68.993 -57.868 -14.972  1.00  0.00           H  
HETATM  102  H   UNL     1      69.766 -58.423 -13.449  1.00  0.00           H  
HETATM  103  H   UNL     1      71.488 -57.851 -15.104  1.00  0.00           H  
HETATM  104  H   UNL     1      71.529 -56.677 -13.745  1.00  0.00           H  
HETATM  105  H   UNL     1      70.342 -53.967 -15.425  1.00  0.00           H  
HETATM  106  H   UNL     1      69.631 -54.955 -14.105  1.00  0.00           H  
HETATM  107  H   UNL     1      71.395 -54.616 -14.123  1.00  0.00           H  
HETATM  108  H   UNL     1      69.700 -57.336 -12.203  1.00  0.00           H  
HETATM  109  H   UNL     1      69.077 -59.475 -12.456  1.00  0.00           H  
HETATM  110  H   UNL     1      71.259 -59.042 -11.561  1.00  0.00           H  
HETATM  111  H   UNL     1      71.624 -61.238 -10.564  1.00  0.00           H  
HETATM  112  H   UNL     1      69.859 -61.410 -10.280  1.00  0.00           H  
HETATM  113  H   UNL     1      70.496 -61.343 -11.958  1.00  0.00           H  
HETATM  114  H   UNL     1      69.648 -59.159  -9.036  1.00  0.00           H  
HETATM  115  H   UNL     1      71.388 -59.606  -9.044  1.00  0.00           H  
HETATM  116  H   UNL     1      72.867 -57.681 -10.384  1.00  0.00           H  
HETATM  117  H   UNL     1      71.479 -57.248 -11.439  1.00  0.00           H  
HETATM  118  H   UNL     1      72.154 -56.035 -10.300  1.00  0.00           H  
HETATM  119  H   UNL     1      69.230 -57.024  -8.929  1.00  0.00           H  
HETATM  120  H   UNL     1      71.906 -56.286  -8.005  1.00  0.00           H  
HETATM  121  H   UNL     1      73.617 -57.130  -6.533  1.00  0.00           H  
HETATM  122  H   UNL     1      74.672 -59.421  -8.253  1.00  0.00           H  
HETATM  123  H   UNL     1      74.943 -60.262  -6.144  1.00  0.00           H  
HETATM  124  H   UNL     1      75.469 -55.608  -7.444  1.00  0.00           H  
HETATM  125  H   UNL     1      76.677 -54.985  -9.471  1.00  0.00           H  
HETATM  126  H   UNL     1      75.757 -56.206 -10.414  1.00  0.00           H  
HETATM  127  H   UNL     1      74.912 -54.775  -9.731  1.00  0.00           H  
HETATM  128  H   UNL     1      76.503 -57.811  -9.252  1.00  0.00           H  
HETATM  129  H   UNL     1      77.445 -56.816  -8.090  1.00  0.00           H  
HETATM  130  H   UNL     1      76.194 -57.711  -6.242  1.00  0.00           H  
HETATM  131  H   UNL     1      79.118 -59.251  -6.415  1.00  0.00           H  
HETATM  132  H   UNL     1      78.521 -57.655  -6.982  1.00  0.00           H  
HETATM  133  H   UNL     1      77.882 -58.363  -5.460  1.00  0.00           H  
HETATM  134  H   UNL     1      77.767 -60.996  -6.295  1.00  0.00           H  
HETATM  135  H   UNL     1      76.872 -59.828  -5.265  1.00  0.00           H  
HETATM  136  H   UNL     1      76.003 -60.758  -6.532  1.00  0.00           H  
CONECT    1    2   59   60   61                                       
CONECT    2    3    1                                                 
CONECT    3    6    5    2    4                                       
CONECT    4    3   62   63   64                                       
CONECT    5   11    3   65   66                                       
CONECT    6    8    7    3   67                                       
CONECT    7    6   68                                                 
CONECT    8    9   10    6   69                                       
CONECT    9    8   70   71   72                                       
CONECT   10    8   11                                                 
CONECT   11   10   12    5   73                                       
CONECT   12   13   11                                                 
CONECT   13   14   12   16   74                                       
CONECT   14   46   13   15   75                                       
CONECT   15   14   76   77   78                                       
CONECT   16   13   18   17   79                                       
CONECT   17   16   80   81   82                                       
CONECT   18   20   19   19   16                                       
CONECT   19   18   18                                                 
CONECT   20   21   18                                                 
CONECT   21   24   20   22   83                                       
CONECT   22   21   23   84   85                                       
CONECT   23   22   86   87   88                                       
CONECT   24   27   26   25   21                                       
CONECT   25   24   89   90   91                                       
CONECT   26   24   92                                                 
CONECT   27   30   28   24   93                                       
CONECT   28   29   39   27   94                                       
CONECT   29   28   95   96   97                                       
CONECT   30   31   27                                                 
CONECT   31   32   38   30   98                                       
CONECT   32   33   31   99  100                                       
CONECT   33   34   32                                                 
CONECT   34   35   33  101  102                                       
CONECT   35   36   34  103  104                                       
CONECT   36   37   35                                                 
CONECT   37   36  105  106  107                                       
CONECT   38   31   39  108                                            
CONECT   39   38   40   28  109                                       
CONECT   40   39   41   42  110                                       
CONECT   41   40  111  112  113                                       
CONECT   42   40   43  114  115                                       
CONECT   43   44   45   42   46                                       
CONECT   44   43  116  117  118                                       
CONECT   45   43  119                                                 
CONECT   46   43   47   14  120                                       
CONECT   47   46   48                                                 
CONECT   48   51   47   49  121                                       
CONECT   49   48   55   50  122                                       
CONECT   50   49  123                                                 
CONECT   51   52   48                                                 
CONECT   52   53   51   54  124                                       
CONECT   53   52  125  126  127                                       
CONECT   54   52   55  128  129                                       
CONECT   55   54   49   56  130                                       
CONECT   56   55   57   58                                            
CONECT   57   56  131  132  133                                       
CONECT   58   56  134  135  136                                       
CONECT   59    1                                                      
CONECT   60    1                                                      
CONECT   61    1                                                      
CONECT   62    4                                                      
CONECT   63    4                                                      
CONECT   64    4                                                      
CONECT   65    5                                                      
CONECT   66    5                                                      
CONECT   67    6                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    9                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   11                                                      
CONECT   74   13                                                      
CONECT   75   14                                                      
CONECT   76   15                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   17                                                      
CONECT   81   17                                                      
CONECT   82   17                                                      
CONECT   83   21                                                      
CONECT   84   22                                                      
CONECT   85   22                                                      
CONECT   86   23                                                      
CONECT   87   23                                                      
CONECT   88   23                                                      
CONECT   89   25                                                      
CONECT   90   25                                                      
CONECT   91   25                                                      
CONECT   92   26                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   29                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   34                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   35                                                      
CONECT  105   37                                                      
CONECT  106   37                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   39                                                      
CONECT  110   40                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   42                                                      
CONECT  116   44                                                      
CONECT  117   44                                                      
CONECT  118   44                                                      
CONECT  119   45                                                      
CONECT  120   46                                                      
CONECT  121   48                                                      
CONECT  122   49                                                      
CONECT  123   50                                                      
CONECT  124   52                                                      
CONECT  125   53                                                      
CONECT  126   53                                                      
CONECT  127   53                                                      
CONECT  128   54                                                      
CONECT  129   54                                                      
CONECT  130   55                                                      
CONECT  131   57                                                      
CONECT  132   57                                                      
CONECT  133   57                                                      
CONECT  134   58                                                      
CONECT  135   58                                                      
CONECT  136   58                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
