COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.839  -1.628   0.002  1.00  0.00           C  
HETATM    2  C   UNL     1       1.376  -5.246   0.314  1.00  0.00           C  
HETATM    3  C   UNL     1       2.769  -2.943   0.576  1.00  0.00           C  
HETATM    4  C   UNL     1       3.510  -1.785   0.720  1.00  0.00           C  
HETATM    5  C   UNL     1       2.922  -0.552   0.506  1.00  0.00           C  
HETATM    6  C   UNL     1       5.858   0.713  -1.134  1.00  0.00           C  
HETATM    7  C   UNL     1       6.941   1.745  -0.813  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.398  -1.444  -0.954  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.692  -1.083  -1.039  1.00  0.00           C  
HETATM   10  O   UNL     1      -7.102   0.486   0.084  1.00  0.00           O  
HETATM   11  C   UNL     1      -5.782  -1.857  -1.734  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.267  -0.522   0.067  1.00  0.00           C  
HETATM   13  C   UNL     1       1.433  -2.870   0.218  1.00  0.00           C  
HETATM   14  C   UNL     1       3.825   2.104  -1.740  1.00  0.00           C  
HETATM   15  C   UNL     1       4.300   3.551  -1.600  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.845   0.112  -0.383  1.00  0.00           C  
HETATM   17  C   UNL     1       1.590  -0.470   0.148  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.022   0.960  -0.200  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.840   2.445  -0.379  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.426   3.080   0.942  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.574   2.081   1.742  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.300   1.701   0.983  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.573   0.479   0.145  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.703  -0.490  -0.236  1.00  0.00           C  
HETATM   25  N   UNL     1      -0.510  -1.549  -0.366  1.00  0.00           N  
HETATM   26  N   UNL     1       4.545   1.259  -0.784  1.00  0.00           N  
HETATM   27  O   UNL     1      -0.761   0.379   0.711  1.00  0.00           O  
HETATM   28  O   UNL     1       0.702  -4.008   0.077  1.00  0.00           O  
HETATM   29  O   UNL     1       2.948   1.965   0.960  1.00  0.00           O  
HETATM   30  O   UNL     1       4.952   0.594   1.557  1.00  0.00           O  
HETATM   31  S   UNL     1       3.873   0.920   0.691  1.00  0.00           S  
HETATM   32  H   UNL     1       0.681  -6.072   0.168  1.00  0.00           H  
HETATM   33  H   UNL     1       2.209  -5.344  -0.382  1.00  0.00           H  
HETATM   34  H   UNL     1       1.753  -5.264   1.337  1.00  0.00           H  
HETATM   35  H   UNL     1       3.231  -3.904   0.744  1.00  0.00           H  
HETATM   36  H   UNL     1       4.552  -1.843   1.000  1.00  0.00           H  
HETATM   37  H   UNL     1       5.883   0.479  -2.198  1.00  0.00           H  
HETATM   38  H   UNL     1       6.040  -0.195  -0.559  1.00  0.00           H  
HETATM   39  H   UNL     1       6.917   1.978   0.251  1.00  0.00           H  
HETATM   40  H   UNL     1       7.919   1.339  -1.073  1.00  0.00           H  
HETATM   41  H   UNL     1       6.760   2.653  -1.389  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.015  -2.250  -1.333  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.243  -2.548  -1.029  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.536  -1.165  -2.110  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.356  -2.418  -2.566  1.00  0.00           H  
HETATM   46  H   UNL     1       2.755   2.052  -1.537  1.00  0.00           H  
HETATM   47  H   UNL     1       4.020   1.754  -2.754  1.00  0.00           H  
HETATM   48  H   UNL     1       3.764   4.180  -2.311  1.00  0.00           H  
HETATM   49  H   UNL     1       4.105   3.901  -0.586  1.00  0.00           H  
HETATM   50  H   UNL     1       5.370   3.603  -1.803  1.00  0.00           H  
HETATM   51  H   UNL     1       1.133   0.494  -0.019  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.068   2.628  -1.126  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.778   2.887  -0.715  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.844   3.980   0.746  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.316   3.339   1.515  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.299   2.531   2.696  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.159   1.181   1.927  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.000   2.527   0.337  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.502   1.487   1.694  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.899  -2.233  -0.933  1.00  0.00           H  
CONECT    1   17   25   13   13                                       
CONECT    2   28   32   33   34                                       
CONECT    3    4    4   13   35                                       
CONECT    4    5    3    3   36                                       
CONECT    5   31   17   17    4                                       
CONECT    6   26    7   37   38                                       
CONECT    7    6   39   40   41                                       
CONECT    8    9   24   42                                            
CONECT    9   11    8   16   16                                       
CONECT   10   18   18                                                 
CONECT   11    9   43   44   45                                       
CONECT   12   27   27   24   25                                       
CONECT   13    1    1   28    3                                       
CONECT   14   15   26   46   47                                       
CONECT   15   14   48   49   50                                       
CONECT   16    9    9   18   23                                       
CONECT   17    5    5    1   51                                       
CONECT   18   10   10   16   19                                       
CONECT   19   18   20   52   53                                       
CONECT   20   19   21   54   55                                       
CONECT   21   22   20   56   57                                       
CONECT   22   23   21   58   59                                       
CONECT   23   16   24   24   22                                       
CONECT   24    8   12   23   23                                       
CONECT   25   12    1   60                                            
CONECT   26   14    6   31                                            
CONECT   27   12   12                                                 
CONECT   28   13    2                                                 
CONECT   29   31   31                                                 
CONECT   30   31   31                                                 
CONECT   31   26   29   29    5                                       
CONECT   31   30   30                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   11                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   19                                                      
CONECT   53   19                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   25                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
