COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.186   0.790   1.194  1.00  0.00           N  
HETATM    2  C   UNL     1       1.014   2.768  -0.303  1.00  0.00           C  
HETATM    3  C   UNL     1       2.807   1.959   0.982  1.00  0.00           C  
HETATM    4  C   UNL     1       1.710   4.745  -0.841  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.668  -0.825  -0.560  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.977   1.044  -2.070  1.00  0.00           C  
HETATM    7  C   UNL     1       5.001  -0.792   0.835  1.00  0.00           C  
HETATM    8  C   UNL     1       5.765  -1.599   0.014  1.00  0.00           C  
HETATM    9  C   UNL     1       5.208  -2.737  -0.551  1.00  0.00           C  
HETATM   10  C   UNL     1       3.125  -2.252   0.532  1.00  0.00           C  
HETATM   11  C   UNL     1       7.312  -3.135  -1.584  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.591  -1.035  -0.341  1.00  0.00           C  
HETATM   13  C   UNL     1       3.885  -3.062  -0.290  1.00  0.00           C  
HETATM   14  C   UNL     1       0.298   1.491  -0.091  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.009   1.071  -0.570  1.00  0.00           C  
HETATM   16  C   UNL     1       3.682  -1.118   1.094  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.355  -0.163  -0.187  1.00  0.00           C  
HETATM   18  C   UNL     1       0.927   0.529   0.668  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.914   1.943  -1.431  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.834  -1.764  -0.862  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.026   0.046   0.653  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.609  -2.344   0.324  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.833  -0.604   1.780  1.00  0.00           C  
HETATM   24  C   UNL     1       2.853  -0.240   1.995  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.852  -0.385  -1.512  1.00  0.00           C  
HETATM   26  N   UNL     1       0.711   3.871  -0.956  1.00  0.00           N  
HETATM   27  N   UNL     1       2.667   4.224  -0.117  1.00  0.00           N  
HETATM   28  N   UNL     1       2.249   2.937   0.253  1.00  0.00           N  
HETATM   29  N   UNL     1      -3.599   0.212  -1.030  1.00  0.00           N  
HETATM   30  O   UNL     1       3.909   2.139   1.465  1.00  0.00           O  
HETATM   31  O   UNL     1      -7.956  -1.291   1.225  1.00  0.00           O  
HETATM   32  O   UNL     1       5.957  -3.532  -1.360  1.00  0.00           O  
HETATM   33  S   UNL     1      -0.095  -0.895   0.789  1.00  0.00           S  
HETATM   34  H   UNL     1       1.728   5.732  -1.280  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.499  -1.552  -1.355  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.089  -1.327   0.311  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.738   1.662  -2.545  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.509   0.403  -2.818  1.00  0.00           H  
HETATM   39  H   UNL     1       5.435   0.092   1.278  1.00  0.00           H  
HETATM   40  H   UNL     1       6.794  -1.343  -0.189  1.00  0.00           H  
HETATM   41  H   UNL     1       2.095  -2.504   0.735  1.00  0.00           H  
HETATM   42  H   UNL     1       7.795  -3.854  -2.245  1.00  0.00           H  
HETATM   43  H   UNL     1       7.330  -2.148  -2.046  1.00  0.00           H  
HETATM   44  H   UNL     1       7.843  -3.101  -0.633  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.932  -1.746   0.156  1.00  0.00           H  
HETATM   46  H   UNL     1       3.449  -3.947  -0.729  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.326   2.427  -2.209  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.396   2.698  -0.810  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.468  -1.062  -1.403  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.530  -2.571  -1.529  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.145   0.533   1.070  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.643   0.785   0.142  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.517  -2.828  -0.037  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.989  -3.076   0.841  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.202  -1.313   2.317  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.181   0.166   2.469  1.00  0.00           H  
HETATM   57  H   UNL     1       3.499   0.236   2.733  1.00  0.00           H  
HETATM   58  H   UNL     1       2.104  -0.846   2.504  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.628  -1.141  -2.265  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.478   0.391  -1.952  1.00  0.00           H  
CONECT    1   24    3   18                                            
CONECT    2   28   14   26   26                                       
CONECT    3   30   30    1   28                                       
CONECT    4   27   27   26   34                                       
CONECT    5   17   29   35   36                                       
CONECT    6   19   29   37   38                                       
CONECT    7    8    8   16   39                                       
CONECT    8    9    7    7   40                                       
CONECT    9   32   13   13    8                                       
CONECT   10   13   16   16   41                                       
CONECT   11   32   42   43   44                                       
CONECT   12   21   25   20   45                                       
CONECT   13    9    9   10   46                                       
CONECT   14   18   18    2   15                                       
CONECT   15   14   17   17   19                                       
CONECT   16   10   10    7   24                                       
CONECT   17   33   15   15    5                                       
CONECT   18    1   33   14   14                                       
CONECT   19   15    6   47   48                                       
CONECT   20   12   22   49   50                                       
CONECT   21   23   12   51   52                                       
CONECT   22   31   20   53   54                                       
CONECT   23   21   31   55   56                                       
CONECT   24   16    1   57   58                                       
CONECT   25   29   12   59   60                                       
CONECT   26    2    2    4                                            
CONECT   27   28    4    4                                            
CONECT   28    3   27    2                                            
CONECT   29    5    6   25                                            
CONECT   30    3    3                                                 
CONECT   31   23   22                                                 
CONECT   32   11    9                                                 
CONECT   33   18   17                                                 
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
