COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.073  -4.778   0.776  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.046  -3.608   0.445  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.728  -2.973   0.352  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.643  -3.694  -0.160  1.00  0.00           C  
HETATM    5  C   UNL     1       0.607  -3.124  -0.206  1.00  0.00           C  
HETATM    6  C   UNL     1       0.805  -1.823   0.261  1.00  0.00           C  
HETATM    7  C   UNL     1       2.161  -1.223   0.231  1.00  0.00           C  
HETATM    8  C   UNL     1       2.362   0.074   0.703  1.00  0.00           C  
HETATM    9  C   UNL     1       3.625   0.630   0.674  1.00  0.00           C  
HETATM   10  C   UNL     1       4.693  -0.095   0.179  1.00  0.00           C  
HETATM   11  N   UNL     1       6.045   0.507   0.152  1.00  0.00           N1+
HETATM   12  O   UNL     1       6.987  -0.131  -0.284  1.00  0.00           O  
HETATM   13  O   UNL     1       6.215   1.640   0.565  1.00  0.00           O1-
HETATM   14  C   UNL     1       4.501  -1.387  -0.292  1.00  0.00           C  
HETATM   15  O   UNL     1       5.554  -2.096  -0.778  1.00  0.00           O  
HETATM   16  C   UNL     1       5.284  -3.419  -1.247  1.00  0.00           C  
HETATM   17  C   UNL     1       3.238  -1.955  -0.263  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.270  -1.089   0.755  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.537  -1.650   0.781  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.623  -0.891   1.199  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.209  -3.026   0.197  1.00  0.00           N  
HETATM   22  C   UNL     1      -4.420  -1.713  -0.222  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.677  -0.660   0.301  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.402  -1.457  -1.174  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.662  -0.161  -1.578  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.949   0.892  -1.035  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.953   0.648  -0.092  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.254   1.685   0.442  1.00  0.00           O  
HETATM   29  C   UNL     1      -3.595   2.998  -0.010  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.709   4.026   0.697  1.00  0.00           C  
HETATM   31  N   UNL     1      -1.311   3.827   0.294  1.00  0.00           N  
HETATM   32  C   UNL     1      -1.123   4.135  -1.131  1.00  0.00           C  
HETATM   33  C   UNL     1       0.331   3.857  -1.521  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.404   4.633   1.125  1.00  0.00           C  
HETATM   35  C   UNL     1       1.043   4.350   0.712  1.00  0.00           C  
HETATM   36  O   UNL     1       1.199   4.625  -0.682  1.00  0.00           O  
HETATM   37  H   UNL     1      -0.788  -4.702  -0.520  1.00  0.00           H  
HETATM   38  H   UNL     1       1.440  -3.684  -0.606  1.00  0.00           H  
HETATM   39  H   UNL     1       1.530   0.643   1.090  1.00  0.00           H  
HETATM   40  H   UNL     1       3.780   1.634   1.039  1.00  0.00           H  
HETATM   41  H   UNL     1       4.879  -4.018  -0.431  1.00  0.00           H  
HETATM   42  H   UNL     1       4.560  -3.376  -2.060  1.00  0.00           H  
HETATM   43  H   UNL     1       6.208  -3.872  -1.606  1.00  0.00           H  
HETATM   44  H   UNL     1       3.088  -2.961  -0.625  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.117  -0.083   1.118  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.653  -0.526   2.097  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.000  -3.573   0.319  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.964  -2.275  -1.601  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.423   0.030  -2.319  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.164   1.905  -1.342  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.439   3.063  -1.087  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.641   3.201   0.218  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.028   5.031   0.419  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.798   3.901   1.776  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.786   3.509  -1.729  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.355   5.185  -1.310  1.00  0.00           H  
HETATM   57  H   UNL     1       0.546   2.796  -1.393  1.00  0.00           H  
HETATM   58  H   UNL     1       0.489   4.138  -2.562  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.623   5.691   0.982  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.542   4.371   2.174  1.00  0.00           H  
HETATM   61  H   UNL     1       1.716   4.988   1.286  1.00  0.00           H  
HETATM   62  H   UNL     1       1.279   3.304   0.906  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   21    3                                       
CONECT    3    2    4    4   19                                       
CONECT    4    3    3    5   37                                       
CONECT    5    4    6    6   38                                       
CONECT    6    5    5   18    7                                       
CONECT    7    6   17   17    8                                       
CONECT    8    7    9    9   39                                       
CONECT    9    8    8   10   40                                       
CONECT   10   14   14    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11                                                      
CONECT   14   17   10   10   15                                       
CONECT   15   16   14                                                 
CONECT   16   15   41   42   43                                       
CONECT   17    7    7   14   44                                       
CONECT   18   19   19    6   45                                       
CONECT   19    3   20   18   18                                       
CONECT   20   23   19   46                                            
CONECT   21   22    2   47                                            
CONECT   22   24   21   23   23                                       
CONECT   23   22   22   27   20                                       
CONECT   24   25   25   22   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   25   27   27   50                                       
CONECT   27   26   26   23   28                                       
CONECT   28   27   29                                                 
CONECT   29   28   30   51   52                                       
CONECT   30   29   31   53   54                                       
CONECT   31   30   32   34                                            
CONECT   32   33   31   55   56                                       
CONECT   33   36   32   57   58                                       
CONECT   34   35   31   59   60                                       
CONECT   35   36   34   61   62                                       
CONECT   36   33   35                                                 
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   21                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   29                                                      
CONECT   52   29                                                      
CONECT   53   30                                                      
CONECT   54   30                                                      
CONECT   55   32                                                      
CONECT   56   32                                                      
CONECT   57   33                                                      
CONECT   58   33                                                      
CONECT   59   34                                                      
CONECT   60   34                                                      
CONECT   61   35                                                      
CONECT   62   35                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
