COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.656  -0.756  -0.442  1.00  0.00           C  
HETATM    2  C   UNL     1       9.081  -0.263  -0.179  1.00  0.00           C  
HETATM    3  N   UNL     1       9.170   1.166  -0.509  1.00  0.00           N  
HETATM    4  C   UNL     1      10.543   1.661  -0.340  1.00  0.00           C  
HETATM    5  C   UNL     1       8.226   1.951   0.300  1.00  0.00           C  
HETATM    6  C   UNL     1       6.801   1.457   0.036  1.00  0.00           C  
HETATM    7  N   UNL     1       6.712   0.028   0.366  1.00  0.00           N  
HETATM    8  C   UNL     1       5.404  -0.443   0.206  1.00  0.00           C  
HETATM    9  C   UNL     1       5.152  -1.523  -0.631  1.00  0.00           C  
HETATM   10  C   UNL     1       3.861  -1.987  -0.788  1.00  0.00           C  
HETATM   11  C   UNL     1       4.358   0.166   0.888  1.00  0.00           C  
HETATM   12  C   UNL     1       3.068  -0.299   0.730  1.00  0.00           C  
HETATM   13  C   UNL     1       2.815  -1.375  -0.111  1.00  0.00           C  
HETATM   14  N   UNL     1       1.506  -1.845  -0.272  1.00  0.00           N  
HETATM   15  C   UNL     1       0.441  -0.987  -0.114  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.199  -1.464  -0.126  1.00  0.00           S  
HETATM   17  N   UNL     1       0.549   0.298   0.070  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.563   0.982   0.204  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.590   2.353   0.405  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.704   0.203   0.136  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.029   0.661   0.249  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.258   1.858   0.307  1.00  0.00           O  
HETATM   23  C   UNL     1      -4.146  -0.309   0.298  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.412   0.058  -0.158  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.934  -1.595   0.796  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.976  -2.500   0.836  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.231  -2.137   0.383  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.453  -0.856  -0.109  1.00  0.00           C  
HETATM   29  N   UNL     1      -7.725  -0.493  -0.566  1.00  0.00           N  
HETATM   30  C   UNL     1      -8.177   0.762  -0.375  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.450   1.600   0.116  1.00  0.00           O  
HETATM   32  C   UNL     1      -9.585   1.125  -0.771  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.841   2.599  -0.449  1.00  0.00           C  
HETATM   34  H   UNL     1       7.419  -0.635  -1.499  1.00  0.00           H  
HETATM   35  H   UNL     1       7.580  -1.809  -0.171  1.00  0.00           H  
HETATM   36  H   UNL     1       9.328  -0.410   0.873  1.00  0.00           H  
HETATM   37  H   UNL     1       9.780  -0.823  -0.799  1.00  0.00           H  
HETATM   38  H   UNL     1      11.212   1.107  -1.000  1.00  0.00           H  
HETATM   39  H   UNL     1      10.581   2.721  -0.591  1.00  0.00           H  
HETATM   40  H   UNL     1      10.856   1.521   0.694  1.00  0.00           H  
HETATM   41  H   UNL     1       8.463   1.829   1.356  1.00  0.00           H  
HETATM   42  H   UNL     1       8.302   3.003   0.029  1.00  0.00           H  
HETATM   43  H   UNL     1       6.102   2.017   0.656  1.00  0.00           H  
HETATM   44  H   UNL     1       6.554   1.604  -1.015  1.00  0.00           H  
HETATM   45  H   UNL     1       5.965  -1.999  -1.158  1.00  0.00           H  
HETATM   46  H   UNL     1       3.665  -2.827  -1.439  1.00  0.00           H  
HETATM   47  H   UNL     1       4.555   1.002   1.542  1.00  0.00           H  
HETATM   48  H   UNL     1       2.255   0.175   1.260  1.00  0.00           H  
HETATM   49  H   UNL     1       1.349  -2.776  -0.495  1.00  0.00           H  
HETATM   50  H   UNL     1       0.240   2.852   0.453  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.439   2.812   0.498  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.581   1.051  -0.548  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.955  -1.883   1.150  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.809  -3.497   1.217  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.042  -2.849   0.417  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.281  -1.145  -1.020  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.715   0.958  -1.840  1.00  0.00           H  
HETATM   58  H   UNL     1     -10.289   0.504  -0.217  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.859   2.861  -0.736  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.710   2.765   0.620  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.136   3.219  -1.003  1.00  0.00           H  
CONECT    1    7    2   34   35                                       
CONECT    2    1    3   36   37                                       
CONECT    3    2    4    5                                            
CONECT    4    3   38   39   40                                       
CONECT    5    3    6   41   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    1    8    6                                            
CONECT    8    9    7   11   11                                       
CONECT    9   10   10    8   45                                       
CONECT   10    9    9   13   46                                       
CONECT   11    8    8   12   47                                       
CONECT   12   13   13   11   48                                       
CONECT   13   10   14   12   12                                       
CONECT   14   15   13   49                                            
CONECT   15   16   17   17   14                                       
CONECT   16   20   15                                                 
CONECT   17   18   15   15                                            
CONECT   18   20   20   19   17                                       
CONECT   19   18   50   51                                            
CONECT   20   21   16   18   18                                       
CONECT   21   23   22   22   20                                       
CONECT   22   21   21                                                 
CONECT   23   25   25   24   21                                       
CONECT   24   28   28   23   52                                       
CONECT   25   26   23   23   53                                       
CONECT   26   27   27   25   54                                       
CONECT   27   26   26   28   55                                       
CONECT   28   27   29   24   24                                       
CONECT   29   28   30   56                                            
CONECT   30   29   32   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   30   33   57   58                                       
CONECT   33   32   59   60   61                                       
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   29                                                      
CONECT   57   32                                                      
CONECT   58   32                                                      
CONECT   59   33                                                      
CONECT   60   33                                                      
CONECT   61   33                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
