COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.104  -2.819   0.541  1.00  0.00           O  
HETATM    2  C   UNL     1       3.232  -2.039   0.220  1.00  0.00           C  
HETATM    3  N   UNL     1       1.982  -2.483  -0.038  1.00  0.00           N  
HETATM    4  C   UNL     1       1.687  -3.918  -0.059  1.00  0.00           C  
HETATM    5  C   UNL     1       0.975  -1.541  -0.284  1.00  0.00           C  
HETATM    6  C   UNL     1       3.531  -0.566   0.110  1.00  0.00           C  
HETATM    7  C   UNL     1       3.828  -0.217  -1.349  1.00  0.00           C  
HETATM    8  C   UNL     1       5.072  -0.978  -1.813  1.00  0.00           C  
HETATM    9  N   UNL     1       2.385   0.220   0.574  1.00  0.00           N  
HETATM   10  C   UNL     1       2.608   1.656   0.354  1.00  0.00           C  
HETATM   11  C   UNL     1       3.985   2.068   0.914  1.00  0.00           C  
HETATM   12  C   UNL     1       3.747   3.480   1.504  1.00  0.00           C  
HETATM   13  C   UNL     1       2.332   3.359   2.123  1.00  0.00           C  
HETATM   14  C   UNL     1       1.557   2.476   1.123  1.00  0.00           C  
HETATM   15  C   UNL     1       1.198  -0.189  -0.004  1.00  0.00           C  
HETATM   16  N   UNL     1       0.237   0.688  -0.271  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.917   0.284  -0.778  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.163  -0.989  -1.038  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.248  -1.922  -0.808  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.905   1.231  -1.046  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.745   2.408  -1.739  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.946   3.016  -1.764  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.827   2.247  -1.111  1.00  0.00           N  
HETATM   24  C   UNL     1      -3.221   1.164  -0.676  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.851   0.066   0.086  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.180   0.002   0.322  1.00  0.00           C  
HETATM   27  S   UNL     1      -5.492  -1.458   1.257  1.00  0.00           S  
HETATM   28  C   UNL     1      -3.826  -1.841   1.242  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.163  -0.949   0.594  1.00  0.00           N  
HETATM   30  H   UNL     1       1.831  -4.304  -1.068  1.00  0.00           H  
HETATM   31  H   UNL     1       2.356  -4.437   0.627  1.00  0.00           H  
HETATM   32  H   UNL     1       0.654  -4.081   0.248  1.00  0.00           H  
HETATM   33  H   UNL     1       4.402  -0.328   0.721  1.00  0.00           H  
HETATM   34  H   UNL     1       2.978  -0.497  -1.970  1.00  0.00           H  
HETATM   35  H   UNL     1       4.005   0.855  -1.437  1.00  0.00           H  
HETATM   36  H   UNL     1       5.340  -0.658  -2.820  1.00  0.00           H  
HETATM   37  H   UNL     1       5.899  -0.772  -1.133  1.00  0.00           H  
HETATM   38  H   UNL     1       4.863  -2.048  -1.816  1.00  0.00           H  
HETATM   39  H   UNL     1       2.553   1.883  -0.711  1.00  0.00           H  
HETATM   40  H   UNL     1       4.302   1.377   1.694  1.00  0.00           H  
HETATM   41  H   UNL     1       4.725   2.109   0.114  1.00  0.00           H  
HETATM   42  H   UNL     1       4.487   3.707   2.272  1.00  0.00           H  
HETATM   43  H   UNL     1       3.761   4.235   0.718  1.00  0.00           H  
HETATM   44  H   UNL     1       2.383   2.875   3.098  1.00  0.00           H  
HETATM   45  H   UNL     1       1.867   4.341   2.206  1.00  0.00           H  
HETATM   46  H   UNL     1       0.993   3.102   0.431  1.00  0.00           H  
HETATM   47  H   UNL     1       0.882   1.809   1.659  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.454  -2.960  -1.024  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.830   2.775  -2.178  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.163   3.965  -2.233  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.919   0.719  -0.003  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.391  -2.713   1.708  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    1    1    6                                       
CONECT    3    4    5    2                                            
CONECT    4    3   30   31   32                                       
CONECT    5   19    3   15   15                                       
CONECT    6    7    2    9   33                                       
CONECT    7    8    6   34   35                                       
CONECT    8    7   36   37   38                                       
CONECT    9   15    6   10                                            
CONECT   10   11    9   14   39                                       
CONECT   11   12   10   40   41                                       
CONECT   12   11   13   42   43                                       
CONECT   13   12   14   44   45                                       
CONECT   14   10   13   46   47                                       
CONECT   15    5    5   16    9                                       
CONECT   16   17   17   15                                            
CONECT   17   18   20   16   16                                       
CONECT   18   19   19   17                                            
CONECT   19   18   18    5   48                                       
CONECT   20   21   17   24                                            
CONECT   21   22   22   20   49                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   24   24                                            
CONECT   24   20   23   23   25                                       
CONECT   25   24   29   26   26                                       
CONECT   26   25   25   27   51                                       
CONECT   27   26   28                                                 
CONECT   28   29   29   27   52                                       
CONECT   29   25   28   28                                            
CONECT   30    4                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    6                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
