COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.018  -4.491   1.649  1.00  0.00           O  
HETATM    2  C   UNL     1       4.192  -4.416   0.486  1.00  0.00           C  
HETATM    3  C   UNL     1       3.660  -2.990   0.329  1.00  0.00           C  
HETATM    4  O   UNL     1       4.749  -2.101   0.077  1.00  0.00           O  
HETATM    5  C   UNL     1       4.447  -0.785  -0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       3.132  -0.363  -0.009  1.00  0.00           C  
HETATM    7  C   UNL     1       5.461   0.138  -0.332  1.00  0.00           C  
HETATM    8  O   UNL     1       6.753  -0.278  -0.404  1.00  0.00           O  
HETATM    9  C   UNL     1       7.743   0.721  -0.656  1.00  0.00           C  
HETATM   10  C   UNL     1       5.155   1.480  -0.500  1.00  0.00           C  
HETATM   11  C   UNL     1       3.846   1.907  -0.427  1.00  0.00           C  
HETATM   12  C   UNL     1       2.825   0.988  -0.179  1.00  0.00           C  
HETATM   13  C   UNL     1       1.421   1.444  -0.101  1.00  0.00           C  
HETATM   14  N   UNL     1       0.390   0.680   0.125  1.00  0.00           N  
HETATM   15  S   UNL     1       0.874   3.107  -0.291  1.00  0.00           S  
HETATM   16  C   UNL     1      -0.790   2.584  -0.041  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.007   3.474  -0.047  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.271   3.984   1.371  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.506   4.888   1.365  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.787   1.262   0.160  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.056   0.487   0.407  1.00  0.00           C  
HETATM   22  S   UNL     1      -2.735  -0.078  -1.173  1.00  0.00           S  
HETATM   23  C   UNL     1      -4.169  -0.928  -0.603  1.00  0.00           C  
HETATM   24  N   UNL     1      -4.969  -1.508  -1.485  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.417  -0.976   0.698  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.490  -1.609   1.165  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.742  -1.654   2.528  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.357  -2.225   0.268  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.061  -2.159  -1.091  1.00  0.00           C  
HETATM   30  N   UNL     1      -6.896  -2.758  -2.021  1.00  0.00           N  
HETATM   31  H   UNL     1       5.391  -5.369   1.811  1.00  0.00           H  
HETATM   32  H   UNL     1       4.778  -4.685  -0.394  1.00  0.00           H  
HETATM   33  H   UNL     1       3.355  -5.107   0.589  1.00  0.00           H  
HETATM   34  H   UNL     1       2.960  -2.954  -0.506  1.00  0.00           H  
HETATM   35  H   UNL     1       3.150  -2.690   1.244  1.00  0.00           H  
HETATM   36  H   UNL     1       2.345  -1.077   0.183  1.00  0.00           H  
HETATM   37  H   UNL     1       8.729   0.257  -0.690  1.00  0.00           H  
HETATM   38  H   UNL     1       7.537   1.205  -1.611  1.00  0.00           H  
HETATM   39  H   UNL     1       7.719   1.465   0.140  1.00  0.00           H  
HETATM   40  H   UNL     1       5.945   2.193  -0.688  1.00  0.00           H  
HETATM   41  H   UNL     1       3.611   2.953  -0.558  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.834   4.320  -0.711  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.870   2.907  -0.396  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.443   3.138   2.036  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.408   4.551   1.720  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.695   5.252   2.375  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.334   5.734   0.700  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.369   4.321   1.016  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.838  -0.374   1.038  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.782   1.129   0.906  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.133  -1.222   3.148  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.526  -2.117   2.861  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.236  -2.746   0.617  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.692  -3.227  -1.727  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.684  -2.708  -2.967  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    3    1   32   33                                       
CONECT    3    4    2   34   35                                       
CONECT    4    5    3                                                 
CONECT    5    7    7    6    4                                       
CONECT    6   12   12    5   36                                       
CONECT    7   10    8    5    5                                       
CONECT    8    9    7                                                 
CONECT    9    8   37   38   39                                       
CONECT   10   11   11    7   40                                       
CONECT   11   10   10   12   41                                       
CONECT   12   11   13    6    6                                       
CONECT   13   15   12   14   14                                       
CONECT   14   13   13   20                                            
CONECT   15   16   13                                                 
CONECT   16   15   17   20   20                                       
CONECT   17   18   16   42   43                                       
CONECT   18   17   19   44   45                                       
CONECT   19   18   46   47   48                                       
CONECT   20   16   16   14   21                                       
CONECT   21   20   22   49   50                                       
CONECT   22   23   21                                                 
CONECT   23   24   24   25   22                                       
CONECT   24   29   23   23                                            
CONECT   25   26   26   23                                            
CONECT   26   28   27   25   25                                       
CONECT   27   26   51   52                                            
CONECT   28   29   29   26   53                                       
CONECT   29   30   28   28   24                                       
CONECT   30   29   54   55                                            
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    6                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   19                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   21                                                      
CONECT   50   21                                                      
CONECT   51   27                                                      
CONECT   52   27                                                      
CONECT   53   28                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
