COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.837   1.585   3.745  1.00  0.00           C  
HETATM    2  O   UNL     1       3.084   1.177   2.398  1.00  0.00           O  
HETATM    3  C   UNL     1       1.936   1.250   1.549  1.00  0.00           C  
HETATM    4  C   UNL     1       1.712  -1.592   0.078  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.248  -2.530  -0.101  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.608  -2.699  -0.225  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.497  -1.535  -0.185  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.891  -1.710  -0.185  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.722  -0.638  -0.148  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.203   0.675  -0.109  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.156   2.923  -0.039  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.812   0.853  -0.108  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.963  -0.245  -0.141  1.00  0.00           C  
HETATM   14  C   UNL     1       0.775  -3.589  -0.016  1.00  0.00           C  
HETATM   15  C   UNL     1       2.315   0.793   0.139  1.00  0.00           C  
HETATM   16  C   UNL     1       3.499   1.620  -0.364  1.00  0.00           C  
HETATM   17  C   UNL     1       3.798   1.250  -1.818  1.00  0.00           C  
HETATM   18  C   UNL     1       2.617   1.656  -2.701  1.00  0.00           C  
HETATM   19  C   UNL     1       5.058   1.984  -2.283  1.00  0.00           C  
HETATM   20  N   UNL     1       0.434  -1.347  -0.036  1.00  0.00           N  
HETATM   21  N   UNL     1      -4.855   1.850  -0.070  1.00  0.00           N  
HETATM   22  N   UNL     1       1.956  -2.941   0.091  1.00  0.00           N  
HETATM   23  N   UNL     1       2.686  -0.624   0.169  1.00  0.00           N  
HETATM   24  O   UNL     1       0.594  -4.793  -0.039  1.00  0.00           O  
HETATM   25  S   UNL     1      -2.484   2.582  -0.056  1.00  0.00           S  
HETATM   26  H   UNL     1       2.495   2.620   3.755  1.00  0.00           H  
HETATM   27  H   UNL     1       2.071   0.945   4.184  1.00  0.00           H  
HETATM   28  H   UNL     1       3.757   1.500   4.324  1.00  0.00           H  
HETATM   29  H   UNL     1       1.152   0.603   1.943  1.00  0.00           H  
HETATM   30  H   UNL     1       1.576   2.278   1.514  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.020  -3.689  -0.351  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.305  -2.707  -0.215  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.791  -0.790  -0.149  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.573   3.919  -0.007  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.892  -0.102  -0.136  1.00  0.00           H  
HETATM   36  H   UNL     1       1.464   0.932  -0.528  1.00  0.00           H  
HETATM   37  H   UNL     1       3.255   2.680  -0.302  1.00  0.00           H  
HETATM   38  H   UNL     1       4.375   1.412   0.251  1.00  0.00           H  
HETATM   39  H   UNL     1       3.956   0.174  -1.894  1.00  0.00           H  
HETATM   40  H   UNL     1       2.459   2.732  -2.625  1.00  0.00           H  
HETATM   41  H   UNL     1       2.830   1.392  -3.737  1.00  0.00           H  
HETATM   42  H   UNL     1       1.719   1.133  -2.371  1.00  0.00           H  
HETATM   43  H   UNL     1       5.900   1.694  -1.654  1.00  0.00           H  
HETATM   44  H   UNL     1       5.271   1.720  -3.319  1.00  0.00           H  
HETATM   45  H   UNL     1       4.901   3.059  -2.207  1.00  0.00           H  
HETATM   46  H   UNL     1       2.828  -3.360   0.166  1.00  0.00           H  
HETATM   47  H   UNL     1       3.618  -0.880   0.251  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3                                                 
CONECT    3    2   15   29   30                                       
CONECT    4   22   23   20   20                                       
CONECT    5   14    6    6   20                                       
CONECT    6    5    5    7   31                                       
CONECT    7    6    8    8   13                                       
CONECT    8    7    7    9   32                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   12   21                                       
CONECT   11   25   21   21   34                                       
CONECT   12   13   13   10   25                                       
CONECT   13    7   12   12   35                                       
CONECT   14   24   24   22    5                                       
CONECT   15   23    3   16   36                                       
CONECT   16   15   17   37   38                                       
CONECT   17   16   19   18   39                                       
CONECT   18   17   40   41   42                                       
CONECT   19   17   43   44   45                                       
CONECT   20    4    4    5                                            
CONECT   21   10   11   11                                            
CONECT   22   14    4   46                                            
CONECT   23    4   15   47                                            
CONECT   24   14   14                                                 
CONECT   25   12   11                                                 
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   18                                                      
CONECT   42   18                                                      
CONECT   43   19                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   22                                                      
CONECT   47   23                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
