COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       7.021   2.878  -0.671  1.00  0.00           N  
HETATM    2  N   UNL     1      10.004   1.364   1.671  1.00  0.00           N  
HETATM    3  C   UNL     1       8.995   1.883   0.875  1.00  0.00           C  
HETATM    4  C   UNL     1       5.637   0.942  -0.220  1.00  0.00           C  
HETATM    5  C   UNL     1       4.300  -0.816   0.157  1.00  0.00           C  
HETATM    6  C   UNL     1       4.615   1.383  -0.977  1.00  0.00           C  
HETATM    7  C   UNL     1       2.609  -2.503   0.484  1.00  0.00           C  
HETATM    8  C   UNL     1       0.269  -2.066   0.164  1.00  0.00           C  
HETATM    9  C   UNL     1       2.362  -3.868   0.403  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.832  -1.449  -0.765  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.082  -0.841  -1.645  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.124   1.444  -0.072  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.029   0.606  -0.024  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.384   2.067  -0.947  1.00  0.00           C  
HETATM   15  C   UNL     1      -8.888  -0.099   0.849  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.428   2.655   0.210  1.00  0.00           C  
HETATM   17  C   UNL     1       6.891   1.711  -0.054  1.00  0.00           C  
HETATM   18  C   UNL     1       8.127   3.595  -0.547  1.00  0.00           C  
HETATM   19  C   UNL     1       9.159   3.115   0.237  1.00  0.00           C  
HETATM   20  N   UNL     1       7.859   1.216   0.707  1.00  0.00           N  
HETATM   21  N   UNL     1       5.438  -0.235   0.375  1.00  0.00           N  
HETATM   22  S   UNL     1       3.323   0.187  -0.912  1.00  0.00           S  
HETATM   23  N   UNL     1       3.912  -2.039   0.682  1.00  0.00           N  
HETATM   24  C   UNL     1       1.561  -1.601   0.361  1.00  0.00           C  
HETATM   25  C   UNL     1       0.028  -3.433   0.089  1.00  0.00           C  
HETATM   26  C   UNL     1       1.074  -4.328   0.206  1.00  0.00           C  
HETATM   27  C   UNL     1       3.499  -4.848   0.530  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.790  -1.161   0.040  1.00  0.00           N  
HETATM   29  C   UNL     1      -3.001  -0.546  -0.812  1.00  0.00           C  
HETATM   30  O   UNL     1      -1.810  -2.451  -1.453  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.170   0.006  -1.683  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.192   1.146  -0.899  1.00  0.00           C  
HETATM   33  N   UNL     1      -7.366   1.650   0.062  1.00  0.00           N  
HETATM   34  C   UNL     1      -7.931   0.334  -0.265  1.00  0.00           C  
HETATM   35  N   UNL     1      -9.950   0.906   0.997  1.00  0.00           N  
HETATM   36  C   UNL     1      -9.384   2.222   1.324  1.00  0.00           C  
HETATM   37  C   UNL     1     -10.932   0.489   2.006  1.00  0.00           C  
HETATM   38  H   UNL     1      10.831   1.857   1.788  1.00  0.00           H  
HETATM   39  H   UNL     1       9.883   0.508   2.110  1.00  0.00           H  
HETATM   40  H   UNL     1       4.592   2.310  -1.529  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.064  -1.728  -2.260  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.147   2.335   0.538  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.196   0.840   0.622  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.062   3.088  -0.742  1.00  0.00           H  
HETATM   45  H   UNL     1      -6.838   2.021  -1.937  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.331  -1.062   0.594  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.338  -0.188   1.786  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.985   3.617   0.465  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.977   2.744  -0.727  1.00  0.00           H  
HETATM   50  H   UNL     1       8.223   4.544  -1.054  1.00  0.00           H  
HETATM   51  H   UNL     1      10.071   3.681   0.355  1.00  0.00           H  
HETATM   52  H   UNL     1       4.545  -2.572   1.188  1.00  0.00           H  
HETATM   53  H   UNL     1       1.751  -0.540   0.419  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.978  -3.795  -0.064  1.00  0.00           H  
HETATM   55  H   UNL     1       0.884  -5.389   0.143  1.00  0.00           H  
HETATM   56  H   UNL     1       3.631  -5.119   1.577  1.00  0.00           H  
HETATM   57  H   UNL     1       3.275  -5.743  -0.051  1.00  0.00           H  
HETATM   58  H   UNL     1       4.415  -4.392   0.155  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.774  -0.326   0.533  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.007  -0.221  -2.327  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.127  -0.395  -0.357  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.476   0.396  -1.208  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.840   2.159   2.267  1.00  0.00           H  
HETATM   64  H   UNL     1     -10.189   2.951   1.416  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.434   0.363   2.968  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.707   1.250   2.096  1.00  0.00           H  
HETATM   67  H   UNL     1     -11.384  -0.456   1.705  1.00  0.00           H  
CONECT    1   17   17   18                                            
CONECT    2    3   38   39                                            
CONECT    3    2   20   20   19                                       
CONECT    4   21   17    6    6                                       
CONECT    5   23   21   21   22                                       
CONECT    6    4    4   22   40                                       
CONECT    7    9   23   24   24                                       
CONECT    8   25   25   24   28                                       
CONECT    9   27   26   26    7                                       
CONECT   10   28   29   30   30                                       
CONECT   11   29   29   31   41                                       
CONECT   12   13   13   32   42                                       
CONECT   13   29   12   12   43                                       
CONECT   14   33   32   44   45                                       
CONECT   15   35   34   46   47                                       
CONECT   16   36   33   48   49                                       
CONECT   17   20    4    1    1                                       
CONECT   18   19   19    1   50                                       
CONECT   19    3   18   18   51                                       
CONECT   20    3    3   17                                            
CONECT   21    5    5    4                                            
CONECT   22    5    6                                                 
CONECT   23    7    5   52                                            
CONECT   24    7    7    8   53                                       
CONECT   25   26    8    8   54                                       
CONECT   26    9    9   25   55                                       
CONECT   27    9   56   57   58                                       
CONECT   28    8   10   59                                            
CONECT   29   10   11   11   13                                       
CONECT   30   10   10                                                 
CONECT   31   11   32   32   60                                       
CONECT   32   31   31   12   14                                       
CONECT   33   34   16   14                                            
CONECT   34   15   33   61   62                                       
CONECT   35   37   15   36                                            
CONECT   36   35   16   63   64                                       
CONECT   37   35   65   66   67                                       
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    6                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   19                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   28                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   36                                                      
CONECT   64   36                                                      
CONECT   65   37                                                      
CONECT   66   37                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
