COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -12.124  -3.240  -1.573  1.00  0.00           O  
HETATM    2  C   UNL     1     -12.260  -2.061  -1.308  1.00  0.00           C  
HETATM    3  N   UNL     1     -13.277  -1.590  -0.572  1.00  0.00           N  
HETATM    4  N   UNL     1     -11.405  -1.116  -1.719  1.00  0.00           N  
HETATM    5  C   UNL     1     -11.862   0.193  -1.226  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.140  -0.131  -0.443  1.00  0.00           C  
HETATM    7  C   UNL     1     -13.020   0.237   1.049  1.00  0.00           C  
HETATM    8  S   UNL     1     -11.204   0.185   1.334  1.00  0.00           S  
HETATM    9  C   UNL     1     -10.769   0.808  -0.331  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.383   0.309  -0.746  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.314   1.030   0.076  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.928   0.531  -0.339  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.859   1.252   0.484  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.494   0.760   0.075  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.388  -0.084  -0.789  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.392   1.259   0.669  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.066   0.781   0.272  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.996   1.502   1.094  1.00  0.00           C  
HETATM   19  N   UNL     1       0.331   1.024   0.697  1.00  0.00           N  
HETATM   20  C   UNL     1       1.433   1.522   1.291  1.00  0.00           C  
HETATM   21  O   UNL     1       1.326   2.369   2.157  1.00  0.00           O  
HETATM   22  C   UNL     1       2.773   1.039   0.890  1.00  0.00           C  
HETATM   23  C   UNL     1       3.912   1.557   1.506  1.00  0.00           C  
HETATM   24  C   UNL     1       2.893   0.063  -0.101  1.00  0.00           C  
HETATM   25  C   UNL     1       4.138  -0.393  -0.481  1.00  0.00           C  
HETATM   26  C   UNL     1       5.286   0.120   0.123  1.00  0.00           C  
HETATM   27  C   UNL     1       5.170   1.102   1.129  1.00  0.00           C  
HETATM   28  C   UNL     1       6.381   1.646   1.777  1.00  0.00           C  
HETATM   29  O   UNL     1       6.267   2.585   2.737  1.00  0.00           O  
HETATM   30  O   UNL     1       7.479   1.247   1.445  1.00  0.00           O  
HETATM   31  C   UNL     1       6.617  -0.369  -0.284  1.00  0.00           C  
HETATM   32  C   UNL     1       7.102  -1.686   0.132  1.00  0.00           C  
HETATM   33  C   UNL     1       6.311  -2.523   0.932  1.00  0.00           C  
HETATM   34  C   UNL     1       6.783  -3.745   1.308  1.00  0.00           C  
HETATM   35  C   UNL     1       8.049  -4.168   0.900  1.00  0.00           C  
HETATM   36  O   UNL     1       8.505  -5.387   1.282  1.00  0.00           O  
HETATM   37  C   UNL     1       8.844  -3.355   0.109  1.00  0.00           C  
HETATM   38  C   UNL     1       8.382  -2.107  -0.284  1.00  0.00           C  
HETATM   39  O   UNL     1       9.149  -1.308  -1.053  1.00  0.00           O  
HETATM   40  C   UNL     1       8.741  -0.088  -1.458  1.00  0.00           C  
HETATM   41  C   UNL     1       7.467   0.415  -1.094  1.00  0.00           C  
HETATM   42  C   UNL     1       9.571   0.685  -2.244  1.00  0.00           C  
HETATM   43  C   UNL     1       9.152   1.952  -2.667  1.00  0.00           C  
HETATM   44  O   UNL     1       9.890   2.636  -3.366  1.00  0.00           O  
HETATM   45  C   UNL     1       7.883   2.446  -2.294  1.00  0.00           C  
HETATM   46  C   UNL     1       7.055   1.690  -1.532  1.00  0.00           C  
HETATM   47  H   UNL     1     -13.989  -2.125  -0.188  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.612  -1.270  -2.256  1.00  0.00           H  
HETATM   49  H   UNL     1     -12.082   0.856  -2.063  1.00  0.00           H  
HETATM   50  H   UNL     1     -13.998   0.369  -0.892  1.00  0.00           H  
HETATM   51  H   UNL     1     -13.411   1.238   1.233  1.00  0.00           H  
HETATM   52  H   UNL     1     -13.531  -0.499   1.670  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.813   1.897  -0.360  1.00  0.00           H  
HETATM   54  H   UNL     1      -9.316  -0.765  -0.568  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.226   0.512  -1.805  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.381   2.103  -0.102  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.471   0.827   1.135  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.861  -0.543  -0.161  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.771   0.734  -1.398  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.926   2.326   0.306  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.016   1.049   1.543  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.477   1.934   1.360  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.998  -0.293   0.450  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.908   0.984  -0.787  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.064   2.575   0.916  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.153   1.299   2.153  1.00  0.00           H  
HETATM   67  H   UNL     1       0.416   0.349   0.006  1.00  0.00           H  
HETATM   68  H   UNL     1       3.817   2.309   2.276  1.00  0.00           H  
HETATM   69  H   UNL     1       2.007  -0.338  -0.572  1.00  0.00           H  
HETATM   70  H   UNL     1       4.224  -1.149  -1.248  1.00  0.00           H  
HETATM   71  H   UNL     1       7.088   2.910   3.132  1.00  0.00           H  
HETATM   72  H   UNL     1       5.331  -2.200   1.250  1.00  0.00           H  
HETATM   73  H   UNL     1       6.174  -4.390   1.924  1.00  0.00           H  
HETATM   74  H   UNL     1       8.284  -6.100   0.668  1.00  0.00           H  
HETATM   75  H   UNL     1       9.823  -3.692  -0.201  1.00  0.00           H  
HETATM   76  H   UNL     1      10.543   0.313  -2.533  1.00  0.00           H  
HETATM   77  H   UNL     1       7.568   3.424  -2.624  1.00  0.00           H  
HETATM   78  H   UNL     1       6.085   2.071  -1.248  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2    6   47                                            
CONECT    4    2    5   48                                            
CONECT    5    6    4    9   49                                       
CONECT    6    3    7    5   50                                       
CONECT    7    8    6   51   52                                       
CONECT    8    7    9                                                 
CONECT    9    8    5   10   53                                       
CONECT   10    9   11   54   55                                       
CONECT   11   10   12   56   57                                       
CONECT   12   11   13   58   59                                       
CONECT   13   12   14   60   61                                       
CONECT   14   13   16   15   15                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   62                                            
CONECT   17   16   18   63   64                                       
CONECT   18   17   19   65   66                                       
CONECT   19   18   20   67                                            
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   24   24   23                                       
CONECT   23   22   27   27   68                                       
CONECT   24   22   22   25   69                                       
CONECT   25   24   26   26   70                                       
CONECT   26   25   25   27   31                                       
CONECT   27   23   23   26   28                                       
CONECT   28   27   30   30   29                                       
CONECT   29   28   71                                                 
CONECT   30   28   28                                                 
CONECT   31   26   32   41   41                                       
CONECT   32   33   31   38   38                                       
CONECT   33   34   34   32   72                                       
CONECT   34   33   33   35   73                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35   74                                                 
CONECT   37   35   35   38   75                                       
CONECT   38   32   32   37   39                                       
CONECT   39   38   40                                                 
CONECT   40   41   39   42   42                                       
CONECT   41   31   31   46   40                                       
CONECT   42   40   40   43   76                                       
CONECT   43   45   42   44   44                                       
CONECT   44   43   43                                                 
CONECT   45   46   46   43   77                                       
CONECT   46   41   45   45   78                                       
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    7                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   11                                                      
CONECT   57   11                                                      
CONECT   58   12                                                      
CONECT   59   12                                                      
CONECT   60   13                                                      
CONECT   61   13                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   25                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   34                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   42                                                      
CONECT   77   45                                                      
CONECT   78   46                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
