COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      25.571  -5.490  27.679  1.00  0.00           C  
HETATM    2  C   UNL     1      23.507  -6.467  28.791  1.00  0.00           C  
HETATM    3  C   UNL     1      24.085  -7.084  26.398  1.00  0.00           C  
HETATM    4  C   UNL     1      24.122  -5.996  27.470  1.00  0.00           C  
HETATM    5  C   UNL     1      23.346  -4.194  25.929  1.00  0.00           C  
HETATM    6  C   UNL     1      22.211  -3.153  25.775  1.00  0.00           C  
HETATM    7  C   UNL     1      19.758   0.726  26.012  1.00  0.00           C  
HETATM    8  C   UNL     1      19.484   2.042  25.289  1.00  0.00           C  
HETATM    9  C   UNL     1      20.809   2.570  24.622  1.00  0.00           C  
HETATM   10  C   UNL     1      20.873   3.991  24.312  1.00  0.00           C  
HETATM   11  C   UNL     1      22.208   4.648  24.041  1.00  0.00           C  
HETATM   12  C   UNL     1      22.256   6.040  23.828  1.00  0.00           C  
HETATM   13  C   UNL     1      21.833   6.924  24.980  1.00  0.00           C  
HETATM   14  C   UNL     1      22.697  -1.797  25.320  1.00  0.00           C  
HETATM   15  C   UNL     1      21.211   0.262  26.119  1.00  0.00           C  
HETATM   16  C   UNL     1      21.719  -0.660  25.062  1.00  0.00           C  
HETATM   17  N   UNL     1      23.292  -4.852  27.065  1.00  0.00           N  
HETATM   18  O   UNL     1      27.205  -8.929  27.547  1.00  0.00           O  
HETATM   19  O   UNL     1      26.442  -6.548  28.190  1.00  0.00           O  
HETATM   20  O   UNL     1      26.553  -8.202  30.168  1.00  0.00           O  
HETATM   21  O   UNL     1      24.191  -7.583  29.356  1.00  0.00           O  
HETATM   22  O   UNL     1      24.893  -9.984  28.735  1.00  0.00           O  
HETATM   23  O   UNL     1      24.819  -8.264  26.801  1.00  0.00           O  
HETATM   24  O   UNL     1      27.187  -7.322  25.622  1.00  0.00           O  
HETATM   25  O   UNL     1      28.780  -7.078  28.970  1.00  0.00           O  
HETATM   26  O   UNL     1      25.830  -5.906  30.880  1.00  0.00           O  
HETATM   27  O   UNL     1      24.201  -9.222  31.304  1.00  0.00           O  
HETATM   28  O   UNL     1      22.560  -9.395  27.979  1.00  0.00           O  
HETATM   29  O   UNL     1      25.498 -10.600  26.058  1.00  0.00           O  
HETATM   30  O   UNL     1      25.592  -8.743  23.938  1.00  0.00           O  
HETATM   31  O   UNL     1      27.875  -9.961  24.841  1.00  0.00           O  
HETATM   32  O   UNL     1      29.775  -7.975  26.584  1.00  0.00           O  
HETATM   33  O   UNL     1      28.814  -5.410  26.727  1.00  0.00           O  
HETATM   34  O   UNL     1      27.910  -4.538  29.755  1.00  0.00           O  
HETATM   35  O   UNL     1      25.744  -7.689  33.044  1.00  0.00           O  
HETATM   36  O   UNL     1      23.453  -6.643  32.005  1.00  0.00           O  
HETATM   37  O   UNL     1      21.651  -8.579  30.423  1.00  0.00           O  
HETATM   38  O   UNL     1      22.566 -11.114  30.197  1.00  0.00           O  
HETATM   39  O   UNL     1      23.315 -11.915  27.078  1.00  0.00           O  
HETATM   40  O   UNL     1      22.891  -9.906  25.307  1.00  0.00           O  
HETATM   41  O   UNL     1      24.256  -4.278  25.108  1.00  0.00           O  
HETATM   42  O   UNL     1      28.495  -6.419  31.611  1.00  0.00           O  
HETATM   43 AL   UNL     1      25.721  -8.308  28.489  1.00  0.00          Al  
HETATM   44 MO   UNL     1      26.499  -9.093  25.357  1.00  0.00          Mo  
HETATM   45 MO   UNL     1      28.428  -7.040  27.056  1.00  0.00          Mo  
HETATM   46 MO   UNL     1      27.595  -6.150  30.170  1.00  0.00          Mo  
HETATM   47 MO   UNL     1      24.889  -7.436  31.577  1.00  0.00          Mo  
HETATM   48 MO   UNL     1      22.954  -9.506  29.864  1.00  0.00          Mo  
HETATM   49 MO   UNL     1      23.711 -10.288  26.734  1.00  0.00          Mo  
HETATM   50  H   UNL     1      25.968  -5.135  26.716  1.00  0.00           H  
HETATM   51  H   UNL     1      25.559  -4.659  28.399  1.00  0.00           H  
HETATM   52  H   UNL     1      23.540  -5.635  29.510  1.00  0.00           H  
HETATM   53  H   UNL     1      22.461  -6.753  28.609  1.00  0.00           H  
HETATM   54  H   UNL     1      23.038  -7.363  26.211  1.00  0.00           H  
HETATM   55  H   UNL     1      24.529  -6.687  25.473  1.00  0.00           H  
HETATM   56  H   UNL     1      21.490  -3.531  25.035  1.00  0.00           H  
HETATM   57  H   UNL     1      21.711  -3.036  26.748  1.00  0.00           H  
HETATM   58  H   UNL     1      19.369   0.827  27.036  1.00  0.00           H  
HETATM   59  H   UNL     1      19.200  -0.061  25.484  1.00  0.00           H  
HETATM   60  H   UNL     1      18.723   1.880  24.511  1.00  0.00           H  
HETATM   61  H   UNL     1      19.117   2.786  26.011  1.00  0.00           H  
HETATM   62  H   UNL     1      21.639   2.342  25.307  1.00  0.00           H  
HETATM   63  H   UNL     1      20.949   2.019  23.681  1.00  0.00           H  
HETATM   64  H   UNL     1      20.254   4.148  23.416  1.00  0.00           H  
HETATM   65  H   UNL     1      22.854   4.432  24.905  1.00  0.00           H  
HETATM   66  H   UNL     1      23.293   6.301  23.572  1.00  0.00           H  
HETATM   67  H   UNL     1      21.600   6.268  22.976  1.00  0.00           H  
HETATM   68  H   UNL     1      21.917   7.980  24.683  1.00  0.00           H  
HETATM   69  H   UNL     1      20.790   6.701  25.249  1.00  0.00           H  
HETATM   70  H   UNL     1      22.484   6.734  25.846  1.00  0.00           H  
HETATM   71  H   UNL     1      23.395  -1.440  26.091  1.00  0.00           H  
HETATM   72  H   UNL     1      23.243  -1.960  24.379  1.00  0.00           H  
HETATM   73  H   UNL     1      21.846   1.160  26.105  1.00  0.00           H  
HETATM   74  H   UNL     1      21.323  -0.251  27.086  1.00  0.00           H  
HETATM   75  H   UNL     1      22.202  -0.016  24.312  1.00  0.00           H  
HETATM   76  H   UNL     1      20.827  -1.129  24.622  1.00  0.00           H  
HETATM   77  H   UNL     1      22.611  -4.540  27.728  1.00  0.00           H  
HETATM   78  H   UNL     1      20.425   4.522  25.165  1.00  0.00           H  
HETATM   79  H   UNL     1      22.625   4.170  23.142  1.00  0.00           H  
CONECT    1    4   19   50   51                                       
CONECT    2    4   21   52   53                                       
CONECT    3    4   23   54   55                                       
CONECT    4    1    2    3   17                                       
CONECT    5    6   17   41   41                                       
CONECT    6    5   14   56   57                                       
CONECT    7    8   15   58   59                                       
CONECT    8    7    9   60   61                                       
CONECT    9    8   10   62   63                                       
CONECT   10    9   11   64   78                                       
CONECT   11   10   12   65   79                                       
CONECT   12   11   13   66   67                                       
CONECT   13   12   68   69   70                                       
CONECT   14    6   16   71   72                                       
CONECT   15    7   16   73   74                                       
CONECT   16   14   15   75   76                                       
CONECT   17    4    5   77                                            
CONECT   18   43   44   45                                            
CONECT   19    1   43   45   46                                       
CONECT   20   43   46   47                                            
CONECT   21    2   43   47   48                                       
CONECT   22   43   48   49                                            
CONECT   23    3   43   44   49                                       
CONECT   24   44   45                                                 
CONECT   25   45   46                                                 
CONECT   26   46   47                                                 
CONECT   27   47   48                                                 
CONECT   28   48   49                                                 
CONECT   29   44   49                                                 
CONECT   30   44                                                      
CONECT   31   44                                                      
CONECT   32   45                                                      
CONECT   33   45                                                      
CONECT   34   46                                                      
CONECT   35   47                                                      
CONECT   36   47                                                      
CONECT   37   48                                                      
CONECT   38   48                                                      
CONECT   39   49                                                      
CONECT   40   49                                                      
CONECT   41    5    5                                                 
CONECT   42   46                                                      
CONECT   43   18   19   20   21                                       
CONECT   43   22   23                                                 
CONECT   44   18   23   24   29                                       
CONECT   44   30   31                                                 
CONECT   45   18   19   24   25                                       
CONECT   45   32   33                                                 
CONECT   46   19   20   25   26                                       
CONECT   46   34   42                                                 
CONECT   47   20   21   26   27                                       
CONECT   47   35   36                                                 
CONECT   48   21   22   27   28                                       
CONECT   48   37   38                                                 
CONECT   49   22   23   28   29                                       
CONECT   49   39   40                                                 
CONECT   50    1                                                      
CONECT   51    1                                                      
CONECT   52    2                                                      
CONECT   53    2                                                      
CONECT   54    3                                                      
CONECT   55    3                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   13                                                      
CONECT   69   13                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   16                                                      
CONECT   76   16                                                      
CONECT   77   17                                                      
CONECT   78   10                                                      
CONECT   79   11                                                      
MASTER        0    0    0    0    0    0    0    0   79    0   79    0
END
