COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.545  -1.838  -0.441  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.911  -4.417  -0.362  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.866  -2.274  -0.079  1.00  0.00           C  
HETATM    4  C   UNL     1       0.496  -2.226   0.180  1.00  0.00           C  
HETATM    5  C   UNL     1       4.219  -0.152  -0.520  1.00  0.00           C  
HETATM    6  C   UNL     1       5.311   0.886  -0.247  1.00  0.00           C  
HETATM    7  C   UNL     1       7.661   1.159   0.269  1.00  0.00           C  
HETATM    8  C   UNL     1       8.184   2.375  -2.023  1.00  0.00           C  
HETATM    9  C   UNL     1       5.316  -1.701   0.982  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.393   4.258   1.448  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.518   3.887   0.249  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.132   4.463  -1.028  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.114   4.463   0.445  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.512   1.732  -0.035  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.430   0.262  -0.148  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.609  -0.480  -0.334  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.282  -2.456  -0.354  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.146  -3.850  -0.450  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.775  -3.633  -0.177  1.00  0.00           C  
HETATM   20  C   UNL     1       1.635  -1.224   0.382  1.00  0.00           C  
HETATM   21  C   UNL     1       2.966  -1.974   0.466  1.00  0.00           C  
HETATM   22  C   UNL     1       7.952   1.835  -1.006  1.00  0.00           C  
HETATM   23  C   UNL     1       6.408  -0.664   1.255  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.130  -1.651  -0.166  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.436   2.428   0.136  1.00  0.00           N1+
HETATM   26  N   UNL     1       4.058  -1.012   0.661  1.00  0.00           N  
HETATM   27  N   UNL     1       6.569   0.197   0.074  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.250  -0.326  -0.074  1.00  0.00           N  
HETATM   29  O   UNL     1      -2.179   1.782   0.215  1.00  0.00           O1-
HETATM   30  O   UNL     1      -0.747  -1.526   0.101  1.00  0.00           O  
HETATM   31  H   UNL     1      -6.441  -2.424  -0.584  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.811  -5.489  -0.437  1.00  0.00           H  
HETATM   33  H   UNL     1       0.660  -2.780  -0.745  1.00  0.00           H  
HETATM   34  H   UNL     1       0.470  -2.921   1.020  1.00  0.00           H  
HETATM   35  H   UNL     1       3.278   0.357  -0.730  1.00  0.00           H  
HETATM   36  H   UNL     1       4.503  -0.761  -1.378  1.00  0.00           H  
HETATM   37  H   UNL     1       5.452   1.506  -1.132  1.00  0.00           H  
HETATM   38  H   UNL     1       5.015   1.513   0.594  1.00  0.00           H  
HETATM   39  H   UNL     1       8.552   0.633   0.612  1.00  0.00           H  
HETATM   40  H   UNL     1       7.366   1.898   1.013  1.00  0.00           H  
HETATM   41  H   UNL     1       8.391   2.858  -2.932  1.00  0.00           H  
HETATM   42  H   UNL     1       5.612  -2.328   0.141  1.00  0.00           H  
HETATM   43  H   UNL     1       5.175  -2.322   1.867  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.955   3.847   2.358  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.454   5.343   1.532  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.393   3.847   1.309  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.193   5.549  -0.944  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.509   4.199  -1.882  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.132   4.053  -1.168  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.676   4.052   1.355  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.491   4.199  -0.410  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.175   5.548   0.529  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.471   2.225  -0.095  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.562   0.024  -0.393  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.018  -4.470  -0.594  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.807  -4.108  -0.110  1.00  0.00           H  
HETATM   57  H   UNL     1       1.661  -0.530  -0.457  1.00  0.00           H  
HETATM   58  H   UNL     1       1.471  -0.670   1.307  1.00  0.00           H  
HETATM   59  H   UNL     1       2.939  -2.668   1.306  1.00  0.00           H  
HETATM   60  H   UNL     1       3.129  -2.528  -0.458  1.00  0.00           H  
HETATM   61  H   UNL     1       6.124  -0.054   2.113  1.00  0.00           H  
HETATM   62  H   UNL     1       7.349  -1.172   1.465  1.00  0.00           H  
CONECT    1   17   16   16   31                                       
CONECT    2   19   18   18   32                                       
CONECT    3   30   19   19   24                                       
CONECT    4   20   30   33   34                                       
CONECT    5   26    6   35   36                                       
CONECT    6    5   27   37   38                                       
CONECT    7   27   22   39   40                                       
CONECT    8   22   22   22   41                                       
CONECT    9   26   23   42   43                                       
CONECT   10   11   44   45   46                                       
CONECT   11   10   13   25   12                                       
CONECT   12   11   47   48   49                                       
CONECT   13   11   50   51   52                                       
CONECT   14   25   25   15   53                                       
CONECT   15   28   28   14   16                                       
CONECT   16   15    1    1   54                                       
CONECT   17   24   24   18    1                                       
CONECT   18    2    2   17   55                                       
CONECT   19    3    3    2   56                                       
CONECT   20    4   21   57   58                                       
CONECT   21   20   26   59   60                                       
CONECT   22    8    8    8    7                                       
CONECT   23    9   27   61   62                                       
CONECT   24    3   28   17   17                                       
CONECT   25   29   11   14   14                                       
CONECT   26   21    9    5                                            
CONECT   27   23    6    7                                            
CONECT   28   24   15   15                                            
CONECT   29   25                                                      
CONECT   30    4    3                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
