COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      33.280  12.517  -4.484  1.00  0.00           C  
HETATM    2  C   UNL     1      33.582  13.623  -5.279  1.00  0.00           C  
HETATM    3  C   UNL     1      33.001  13.412  -6.504  1.00  0.00           C  
HETATM    4  C   UNL     1      32.306  12.203  -6.459  1.00  0.00           C  
HETATM    5  C   UNL     1      30.389   8.332  -6.903  1.00  0.00           C  
HETATM    6  C   UNL     1      29.918   8.528  -8.215  1.00  0.00           C  
HETATM    7  C   UNL     1      31.656   7.221  -2.854  1.00  0.00           C  
HETATM    8  C   UNL     1      33.671   9.663  -0.729  1.00  0.00           C  
HETATM    9  C   UNL     1      32.952   9.070  -1.779  1.00  0.00           C  
HETATM   10  C   UNL     1      34.052  10.929  -1.095  1.00  0.00           C  
HETATM   11  C   UNL     1      32.177  11.973  -9.909  1.00  0.00           C  
HETATM   12  C   UNL     1      32.105  12.746 -11.070  1.00  0.00           C  
HETATM   13  C   UNL     1      31.340  13.883 -11.112  1.00  0.00           C  
HETATM   14  C   UNL     1      30.713  14.273  -9.956  1.00  0.00           C  
HETATM   15  C   UNL     1      30.810  13.549  -8.806  1.00  0.00           C  
HETATM   16  C   UNL     1      31.553  12.410  -8.771  1.00  0.00           C  
HETATM   17  C   UNL     1      31.605  11.602  -7.488  1.00  0.00           C  
HETATM   18  N   UNL     1      32.528  11.670  -5.243  1.00  0.00           N  
HETATM   19  C   UNL     1      33.717  12.266  -3.192  1.00  0.00           C  
HETATM   20  C   UNL     1      34.389  13.415  -2.515  1.00  0.00           C  
HETATM   21  C   UNL     1      33.734  14.622  -2.403  1.00  0.00           C  
HETATM   22  C   UNL     1      34.328  15.693  -1.744  1.00  0.00           C  
HETATM   23  C   UNL     1      35.570  15.564  -1.188  1.00  0.00           C  
HETATM   24  C   UNL     1      36.236  14.356  -1.272  1.00  0.00           C  
HETATM   25  C   UNL     1      35.663  13.301  -1.995  1.00  0.00           C  
HETATM   26 MN   UNL     1      31.853   9.780  -4.590  1.00  0.00          Mn  
HETATM   27  N   UNL     1      31.020   9.455  -6.499  1.00  0.00           N  
HETATM   28  C   UNL     1      30.322   9.779  -8.613  1.00  0.00           C  
HETATM   29  C   UNL     1      31.025  10.347  -7.543  1.00  0.00           C  
HETATM   30  N   UNL     1      32.904   9.972  -2.782  1.00  0.00           N  
HETATM   31  C   UNL     1      33.547  11.112  -2.395  1.00  0.00           C  
HETATM   32  C   UNL     1      32.342   7.820  -1.788  1.00  0.00           C  
HETATM   33  C   UNL     1      32.425   7.061  -0.510  1.00  0.00           C  
HETATM   34  C   UNL     1      33.023   5.821  -0.421  1.00  0.00           C  
HETATM   35  C   UNL     1      33.129   5.157   0.800  1.00  0.00           C  
HETATM   36  C   UNL     1      32.658   5.763   1.952  1.00  0.00           C  
HETATM   37  C   UNL     1      32.088   7.002   1.877  1.00  0.00           C  
HETATM   38  C   UNL     1      31.971   7.659   0.650  1.00  0.00           C  
HETATM   39  N   UNL     1      31.388   7.783  -4.067  1.00  0.00           N  
HETATM   40  C   UNL     1      30.975   5.982  -2.803  1.00  0.00           C  
HETATM   41  C   UNL     1      30.427   5.782  -4.030  1.00  0.00           C  
HETATM   42  C   UNL     1      30.656   6.942  -4.801  1.00  0.00           C  
HETATM   43  C   UNL     1      30.205   7.180  -6.116  1.00  0.00           C  
HETATM   44  C   UNL     1      29.377   6.122  -6.800  1.00  0.00           C  
HETATM   45  C   UNL     1      29.893   5.013  -7.361  1.00  0.00           C  
HETATM   46  C   UNL     1      29.111   4.010  -7.957  1.00  0.00           C  
HETATM   47  C   UNL     1      27.735   4.204  -7.961  1.00  0.00           C  
HETATM   48  C   UNL     1      27.180   5.298  -7.371  1.00  0.00           C  
HETATM   49  C   UNL     1      28.020   6.223  -6.781  1.00  0.00           C  
HETATM   50  H   UNL     1      34.164  14.484  -4.985  1.00  0.00           H  
HETATM   51  H   UNL     1      33.070  14.070  -7.358  1.00  0.00           H  
HETATM   52  H   UNL     1      29.345   7.825  -8.801  1.00  0.00           H  
HETATM   53  H   UNL     1      33.890   9.195   0.219  1.00  0.00           H  
HETATM   54  H   UNL     1      34.620  11.636  -0.509  1.00  0.00           H  
HETATM   55  H   UNL     1      32.720  11.039  -9.909  1.00  0.00           H  
HETATM   56  H   UNL     1      32.659  12.444 -11.946  1.00  0.00           H  
HETATM   57  H   UNL     1      31.235  14.452 -12.024  1.00  0.00           H  
HETATM   58  H   UNL     1      30.126  15.179  -9.958  1.00  0.00           H  
HETATM   59  H   UNL     1      30.294  13.881  -7.917  1.00  0.00           H  
HETATM   60  H   UNL     1      32.749  14.738  -2.831  1.00  0.00           H  
HETATM   61  H   UNL     1      33.804  16.634  -1.671  1.00  0.00           H  
HETATM   62  H   UNL     1      36.029  16.402  -0.685  1.00  0.00           H  
HETATM   63  H   UNL     1      37.191  14.226  -0.784  1.00  0.00           H  
HETATM   64  H   UNL     1      36.223  12.390  -2.147  1.00  0.00           H  
HETATM   65  H   UNL     1      30.133  10.239  -9.572  1.00  0.00           H  
HETATM   66  H   UNL     1      33.416   5.356  -1.313  1.00  0.00           H  
HETATM   67  H   UNL     1      33.576   4.175   0.847  1.00  0.00           H  
HETATM   68  H   UNL     1      32.741   5.259   2.904  1.00  0.00           H  
HETATM   69  H   UNL     1      31.724   7.478   2.775  1.00  0.00           H  
HETATM   70  H   UNL     1      31.523   8.641   0.608  1.00  0.00           H  
HETATM   71  H   UNL     1      30.904   5.321  -1.951  1.00  0.00           H  
HETATM   72  H   UNL     1      29.908   4.893  -4.357  1.00  0.00           H  
HETATM   73  H   UNL     1      30.966   4.887  -7.353  1.00  0.00           H  
HETATM   74  H   UNL     1      29.558   3.129  -8.392  1.00  0.00           H  
HETATM   75  H   UNL     1      27.096   3.476  -8.439  1.00  0.00           H  
HETATM   76  H   UNL     1      26.109   5.440  -7.364  1.00  0.00           H  
HETATM   77  H   UNL     1      27.577   7.070  -6.279  1.00  0.00           H  
CONECT    1    2   18   19   19                                       
CONECT    2    3    3    1   50                                       
CONECT    3    4    2    2   51                                       
CONECT    4   17    3   18   18                                       
CONECT    5    6   27   43   43                                       
CONECT    6   28   28    5   52                                       
CONECT    7   39   40   32   32                                       
CONECT    8    9    9   10   53                                       
CONECT    9   30   32    8    8                                       
CONECT   10   31   31    8   54                                       
CONECT   11   12   16   16   55                                       
CONECT   12   13   13   11   56                                       
CONECT   13   12   12   14   57                                       
CONECT   14   13   15   15   58                                       
CONECT   15   14   14   16   59                                       
CONECT   16   11   11   15   17                                       
CONECT   17   16   29   29    4                                       
CONECT   18    4    4   26    1                                       
CONECT   19    1    1   20   31                                       
CONECT   20   19   21   21   25                                       
CONECT   21   20   20   22   60                                       
CONECT   22   21   23   23   61                                       
CONECT   23   22   22   24   62                                       
CONECT   24   25   25   23   63                                       
CONECT   25   20   24   24   64                                       
CONECT   26   27   18   39   30                                       
CONECT   27   29    5   26                                            
CONECT   28    6    6   29   65                                       
CONECT   29   28   17   17   27                                       
CONECT   30   26   31    9                                            
CONECT   31   19   30   10   10                                       
CONECT   32    7    7    9   33                                       
CONECT   33   32   34   34   38                                       
CONECT   34   33   33   35   66                                       
CONECT   35   34   36   36   67                                       
CONECT   36   35   35   37   68                                       
CONECT   37   38   38   36   69                                       
CONECT   38   33   37   37   70                                       
CONECT   39   42   42   26    7                                       
CONECT   40   41   41    7   71                                       
CONECT   41   42   40   40   72                                       
CONECT   42   43   39   39   41                                       
CONECT   43    5    5   44   42                                       
CONECT   44   45   45   49   43                                       
CONECT   45   46   44   44   73                                       
CONECT   46   47   47   45   74                                       
CONECT   47   46   46   48   75                                       
CONECT   48   47   49   49   76                                       
CONECT   49   48   48   44   77                                       
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    6                                                      
CONECT   53    8                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   28                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   45                                                      
CONECT   74   46                                                      
CONECT   75   47                                                      
CONECT   76   48                                                      
CONECT   77   49                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
