COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.443   1.041  -0.587  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.653   0.228  -0.969  1.00  0.00           C  
HETATM    3  N   UNL     1      -2.705   0.149  -0.129  1.00  0.00           N  
HETATM    4  O   UNL     1      -1.681  -0.356  -2.032  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.881  -0.641  -0.500  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.091  -0.113   0.228  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.957   0.463   1.287  1.00  0.00           O  
HETATM    8  N   UNL     1      -6.320  -0.282  -0.297  1.00  0.00           N  
HETATM    9  O   UNL     1      -7.445   0.308   0.329  1.00  0.00           O  
HETATM   10  C   UNL     1      -3.654  -2.105  -0.118  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.517  -2.220   1.402  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.843  -2.945  -0.588  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.855   2.499  -0.372  1.00  0.00           C  
HETATM   14  C   UNL     1       0.329   3.286   0.128  1.00  0.00           C  
HETATM   15  C   UNL     1       1.180   3.901  -0.771  1.00  0.00           C  
HETATM   16  C   UNL     1       2.266   4.623  -0.313  1.00  0.00           C  
HETATM   17  C   UNL     1       2.500   4.730   1.046  1.00  0.00           C  
HETATM   18  C   UNL     1       1.648   4.116   1.945  1.00  0.00           C  
HETATM   19  C   UNL     1       0.559   3.399   1.486  1.00  0.00           C  
HETATM   20  N   UNL     1       0.553   0.967  -1.659  1.00  0.00           N  
HETATM   21  S   UNL     1       2.167   0.955  -1.290  1.00  0.00           S  
HETATM   22  O   UNL     1       2.860   0.844  -2.525  1.00  0.00           O  
HETATM   23  O   UNL     1       2.377   2.021  -0.374  1.00  0.00           O  
HETATM   24  C   UNL     1       2.489  -0.533  -0.403  1.00  0.00           C  
HETATM   25  C   UNL     1       2.846  -1.681  -1.086  1.00  0.00           C  
HETATM   26  C   UNL     1       3.099  -2.850  -0.391  1.00  0.00           C  
HETATM   27  C   UNL     1       2.994  -2.870   0.988  1.00  0.00           C  
HETATM   28 CL   UNL     1       3.546  -4.291  -1.249  1.00  0.00          Cl  
HETATM   29  C   UNL     1       2.636  -1.721   1.671  1.00  0.00           C  
HETATM   30  C   UNL     1       2.389  -0.552   0.975  1.00  0.00           C  
HETATM   31 CL   UNL     1       2.504  -1.746   3.402  1.00  0.00          Cl  
HETATM   32  H   UNL     1      -0.016   0.645   0.334  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.682   0.616   0.721  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.044  -0.567  -1.575  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.435  -0.808  -1.105  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.283   0.132  -0.120  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.743  -2.467  -0.593  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.428  -1.857   1.877  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.355  -3.263   1.674  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.670  -1.621   1.736  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.001  -2.787  -1.655  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.638  -4.000  -0.403  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.737  -2.647  -0.040  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.200   2.921  -1.316  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.659   2.545   0.362  1.00  0.00           H  
HETATM   46  H   UNL     1       0.997   3.816  -1.832  1.00  0.00           H  
HETATM   47  H   UNL     1       2.931   5.102  -1.015  1.00  0.00           H  
HETATM   48  H   UNL     1       3.351   5.291   1.404  1.00  0.00           H  
HETATM   49  H   UNL     1       1.832   4.201   3.006  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.106   2.919   2.189  1.00  0.00           H  
HETATM   51  H   UNL     1       0.266   0.925  -2.585  1.00  0.00           H  
HETATM   52  H   UNL     1       2.928  -1.665  -2.163  1.00  0.00           H  
HETATM   53  H   UNL     1       3.187  -3.783   1.532  1.00  0.00           H  
HETATM   54  H   UNL     1       2.110   0.345   1.508  1.00  0.00           H  
CONECT    1   13   20    2   32                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    5   33                                            
CONECT    4    2    2                                                 
CONECT    5    3   10    6   34                                       
CONECT    6    7    7    5    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   35                                            
CONECT    9    8   36                                                 
CONECT   10   12    5   11   37                                       
CONECT   11   10   38   39   40                                       
CONECT   12   10   41   42   43                                       
CONECT   13   14    1   44   45                                       
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   46                                       
CONECT   16   17   15   15   47                                       
CONECT   17   18   18   16   48                                       
CONECT   18   17   17   19   49                                       
CONECT   19   18   14   14   50                                       
CONECT   20   21    1   51                                            
CONECT   21   24   23   23   22                                       
CONECT   21   22   20                                                 
CONECT   22   21   21                                                 
CONECT   23   21   21                                                 
CONECT   24   30   30   25   21                                       
CONECT   25   26   26   24   52                                       
CONECT   26   28   27   25   25                                       
CONECT   27   29   29   26   53                                       
CONECT   28   26                                                      
CONECT   29   31   27   27   30                                       
CONECT   30   29   24   24   54                                       
CONECT   31   29                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   12                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   25                                                      
CONECT   53   27                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
