COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.473   0.396   0.337  1.00  0.00           C  
HETATM    2  O   UNL     1       3.546   1.245   1.204  1.00  0.00           O  
HETATM    3  O   UNL     1       4.586  -0.230  -0.089  1.00  0.00           O  
HETATM    4  C   UNL     1       5.839   0.159   0.532  1.00  0.00           C  
HETATM    5  C   UNL     1       6.966  -0.642  -0.067  1.00  0.00           C  
HETATM    6  C   UNL     1       7.637  -0.167  -1.179  1.00  0.00           C  
HETATM    7  C   UNL     1       8.671  -0.902  -1.728  1.00  0.00           C  
HETATM    8  C   UNL     1       9.035  -2.111  -1.166  1.00  0.00           C  
HETATM    9  C   UNL     1       8.365  -2.585  -0.053  1.00  0.00           C  
HETATM   10  C   UNL     1       7.334  -1.849   0.499  1.00  0.00           C  
HETATM   11  N   UNL     1       2.276   0.078  -0.195  1.00  0.00           N  
HETATM   12  C   UNL     1       1.063   0.756   0.273  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.132  -0.129   0.030  1.00  0.00           C  
HETATM   14  O   UNL     1       0.014  -1.219  -0.484  1.00  0.00           O  
HETATM   15  C   UNL     1       0.888   2.071  -0.489  1.00  0.00           C  
HETATM   16  C   UNL     1       2.039   3.018  -0.144  1.00  0.00           C  
HETATM   17  C   UNL     1       1.932   4.282  -0.998  1.00  0.00           C  
HETATM   18  C   UNL     1       1.963   3.394   1.337  1.00  0.00           C  
HETATM   19  N   UNL     1      -1.363   0.289   0.382  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.525  -0.571   0.146  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.765   0.279   0.031  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.685   1.485   0.137  1.00  0.00           O  
HETATM   23  C   UNL     1      -2.683  -1.548   1.313  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.425  -2.411   1.429  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.885  -0.763   2.611  1.00  0.00           C  
HETATM   26  N   UNL     1      -4.961  -0.301  -0.189  1.00  0.00           N  
HETATM   27  C   UNL     1      -6.166   0.525  -0.300  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.361  -0.359  -0.543  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.220  -1.565  -0.617  1.00  0.00           O  
HETATM   30  C   UNL     1      -8.625   0.203  -0.684  1.00  0.00           C  
HETATM   31  N   UNL     1      -9.617  -0.531  -0.886  1.00  0.00           N1+
HETATM   32  N   UNL     1     -10.508  -1.191  -1.067  1.00  0.00           N1-
HETATM   33  H   UNL     1       6.016   1.221   0.360  1.00  0.00           H  
HETATM   34  H   UNL     1       5.788  -0.031   1.604  1.00  0.00           H  
HETATM   35  H   UNL     1       7.353   0.778  -1.618  1.00  0.00           H  
HETATM   36  H   UNL     1       9.194  -0.531  -2.597  1.00  0.00           H  
HETATM   37  H   UNL     1       9.842  -2.685  -1.595  1.00  0.00           H  
HETATM   38  H   UNL     1       8.649  -3.530   0.386  1.00  0.00           H  
HETATM   39  H   UNL     1       6.813  -2.217   1.370  1.00  0.00           H  
HETATM   40  H   UNL     1       2.217  -0.599  -0.887  1.00  0.00           H  
HETATM   41  H   UNL     1       1.151   0.962   1.339  1.00  0.00           H  
HETATM   42  H   UNL     1       0.889   1.873  -1.561  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.059   2.531  -0.206  1.00  0.00           H  
HETATM   44  H   UNL     1       2.989   2.523  -0.345  1.00  0.00           H  
HETATM   45  H   UNL     1       0.982   4.777  -0.797  1.00  0.00           H  
HETATM   46  H   UNL     1       2.753   4.957  -0.752  1.00  0.00           H  
HETATM   47  H   UNL     1       1.987   4.014  -2.053  1.00  0.00           H  
HETATM   48  H   UNL     1       1.013   3.889   1.538  1.00  0.00           H  
HETATM   49  H   UNL     1       2.039   2.493   1.946  1.00  0.00           H  
HETATM   50  H   UNL     1       2.783   4.069   1.583  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.480   1.160   0.793  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.381  -1.130  -0.779  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.547  -2.188   1.137  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.537  -3.106   2.261  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.281  -2.970   0.505  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.560  -1.770   1.605  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.781  -0.148   2.528  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.997  -1.459   3.442  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.020  -0.123   2.787  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.025  -1.265  -0.273  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.310   1.084   0.625  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.054   1.221  -1.131  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.751   1.273  -0.619  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   33   34                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   10   10   38                                       
CONECT   10    5    9    9   39                                       
CONECT   11   12   40    1                                            
CONECT   12   11   13   15   41                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   42   43                                       
CONECT   16   15   17   18   44                                       
CONECT   17   16   45   46   47                                       
CONECT   18   16   48   49   50                                       
CONECT   19   20   51   13                                            
CONECT   20   19   21   23   52                                       
CONECT   21   20   22   22   26                                       
CONECT   22   21   21                                                 
CONECT   23   20   24   25   53                                       
CONECT   24   23   54   55   56                                       
CONECT   25   23   57   58   59                                       
CONECT   26   27   60   21                                            
CONECT   27   26   28   61   62                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   31   31   63   28                                       
CONECT   31   30   30   32   32                                       
CONECT   32   31   31                                                 
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   25                                                      
CONECT   60   26                                                      
CONECT   61   27                                                      
CONECT   62   27                                                      
CONECT   63   30                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
