COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.637   0.235  -0.760  1.00  0.00           C  
HETATM    2  C   UNL     1       4.876   2.716  -0.789  1.00  0.00           C  
HETATM    3  C   UNL     1       3.011   1.327  -1.361  1.00  0.00           C  
HETATM    4  C   UNL     1       7.075   2.949   1.024  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.699  -0.373   0.965  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.152   0.965  -1.386  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.776   2.300  -1.394  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.905   2.779  -0.426  1.00  0.00           C  
HETATM    9  C   UNL     1       3.658  -2.220  -1.166  1.00  0.00           C  
HETATM   10  C   UNL     1       3.036  -3.459  -1.155  1.00  0.00           C  
HETATM   11  C   UNL     1       1.732  -3.590  -0.731  1.00  0.00           C  
HETATM   12  C   UNL     1       1.017  -2.474  -0.306  1.00  0.00           C  
HETATM   13  C   UNL     1       1.636  -1.209  -0.311  1.00  0.00           C  
HETATM   14  C   UNL     1       2.972  -1.089  -0.748  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.415   1.925   0.543  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.458  -0.963   0.445  1.00  0.00           C  
HETATM   17  C   UNL     1       0.684  -0.280   0.166  1.00  0.00           C  
HETATM   18  C   UNL     1       4.893   0.391  -0.177  1.00  0.00           C  
HETATM   19  C   UNL     1       5.510   1.633  -0.193  1.00  0.00           C  
HETATM   20  C   UNL     1       3.633   2.559  -1.373  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.791   0.595   0.549  1.00  0.00           C  
HETATM   22  C   UNL     1       8.389   3.088   1.748  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.663   0.117  -0.412  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.829   4.500  -2.295  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.265  -2.301   0.161  1.00  0.00           N  
HETATM   26  N   UNL     1       6.769   1.796   0.397  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.770  -1.156   1.203  1.00  0.00           N  
HETATM   28  N   UNL     1       1.088  -4.923  -0.727  1.00  0.00           N1+
HETATM   29  O   UNL     1       6.292   3.876   1.006  1.00  0.00           O  
HETATM   30  O   UNL     1      -3.793   0.330   2.888  1.00  0.00           O  
HETATM   31  O   UNL     1      -5.104  -1.554   1.899  1.00  0.00           O  
HETATM   32  O   UNL     1      -1.760   0.823   1.181  1.00  0.00           O  
HETATM   33  O   UNL     1      -0.065  -5.042  -0.353  1.00  0.00           O1-
HETATM   34  O   UNL     1       1.711  -5.901  -1.099  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.259   3.138  -2.349  1.00  0.00           O  
HETATM   36  S   UNL     1      -4.169  -0.490   1.790  1.00  0.00           S  
HETATM   37  H   UNL     1       5.358   3.682  -0.800  1.00  0.00           H  
HETATM   38  H   UNL     1       2.040   1.208  -1.818  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.830   0.590  -2.139  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.610   3.818  -0.430  1.00  0.00           H  
HETATM   41  H   UNL     1       4.682  -2.136  -1.497  1.00  0.00           H  
HETATM   42  H   UNL     1       3.581  -4.332  -1.484  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.737   2.297   1.297  1.00  0.00           H  
HETATM   44  H   UNL     1       0.836   0.782   0.287  1.00  0.00           H  
HETATM   45  H   UNL     1       5.384  -0.452   0.286  1.00  0.00           H  
HETATM   46  H   UNL     1       3.146   3.403  -1.839  1.00  0.00           H  
HETATM   47  H   UNL     1       9.143   3.473   1.062  1.00  0.00           H  
HETATM   48  H   UNL     1       8.273   3.777   2.584  1.00  0.00           H  
HETATM   49  H   UNL     1       8.703   2.113   2.121  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.956  -0.923  -0.405  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.288   5.058  -3.111  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.128   4.938  -1.343  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.744   4.542  -2.391  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.925  -3.003   0.272  1.00  0.00           H  
HETATM   55  H   UNL     1       7.421   1.080   0.354  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.722  -2.109   1.031  1.00  0.00           H  
CONECT    1    3   14   18   18                                       
CONECT    2   20   19   19   37                                       
CONECT    3   20   20    1   38                                       
CONECT    4   22   26   29   29                                       
CONECT    5   16   32   32   27                                       
CONECT    6   23    7    7   39                                       
CONECT    7    6    6    8   35                                       
CONECT    8   15   15    7   40                                       
CONECT    9   10   10   14   41                                       
CONECT   10    9    9   11   42                                       
CONECT   11   10   28   12   12                                       
CONECT   12   11   11   13   25                                       
CONECT   13   14   14   12   17                                       
CONECT   14    9    1   13   13                                       
CONECT   15   21    8    8   43                                       
CONECT   16   25   17   17    5                                       
CONECT   17   13   16   16   44                                       
CONECT   18    1    1   19   45                                       
CONECT   19    2    2   18   26                                       
CONECT   20    3    3    2   46                                       
CONECT   21   36   23   23   15                                       
CONECT   22    4   47   48   49                                       
CONECT   23   21   21    6   50                                       
CONECT   24   35   51   52   53                                       
CONECT   25   12   16   54                                            
CONECT   26   19    4   55                                            
CONECT   27    5   36   56                                            
CONECT   28   33   11   34   34                                       
CONECT   29    4    4                                                 
CONECT   30   36   36                                                 
CONECT   31   36   36                                                 
CONECT   32    5    5                                                 
CONECT   33   28                                                      
CONECT   34   28   28                                                 
CONECT   35    7   24                                                 
CONECT   36   27   21   31   31                                       
CONECT   36   30   30                                                 
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    6                                                      
CONECT   40    8                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   15                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   22                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   24                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
