COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.042   0.973  -3.394  1.00  0.00           C  
HETATM    2  C   UNL     1       1.744  -0.213  -3.430  1.00  0.00           C  
HETATM    3  C   UNL     1       0.203   1.316  -4.440  1.00  0.00           C  
HETATM    4  C   UNL     1       0.060   0.470  -5.524  1.00  0.00           C  
HETATM    5  C   UNL     1       0.753  -0.722  -5.569  1.00  0.00           C  
HETATM    6  C   UNL     1       1.599  -1.073  -4.518  1.00  0.00           C  
HETATM    7  C   UNL     1       2.345  -2.352  -4.559  1.00  0.00           C  
HETATM    8  N   UNL     1       2.204  -3.197  -5.638  1.00  0.00           N  
HETATM    9  N   UNL     1       3.135  -2.677  -3.576  1.00  0.00           N  
HETATM   10  C   UNL     1       1.192   1.901  -2.216  1.00  0.00           C  
HETATM   11  C   UNL     1       0.146   1.553  -1.155  1.00  0.00           C  
HETATM   12  C   UNL     1       0.381   2.390   0.075  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.276   3.393   0.260  1.00  0.00           O  
HETATM   14  N   UNL     1       1.320   2.026   0.969  1.00  0.00           N  
HETATM   15  C   UNL     1       2.145   0.830   0.744  1.00  0.00           C  
HETATM   16  C   UNL     1       2.044  -0.076   1.974  1.00  0.00           C  
HETATM   17  C   UNL     1       1.446   1.886   3.402  1.00  0.00           C  
HETATM   18  C   UNL     1       1.540   2.816   2.188  1.00  0.00           C  
HETATM   19  C   UNL     1       2.422   0.721   3.224  1.00  0.00           C  
HETATM   20  C   UNL     1       2.357  -0.177   4.432  1.00  0.00           C  
HETATM   21  O   UNL     1       2.040  -1.336   4.306  1.00  0.00           O  
HETATM   22  O   UNL     1       2.651   0.310   5.648  1.00  0.00           O  
HETATM   23  C   UNL     1       2.589  -0.555   6.812  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.192   1.823  -1.683  1.00  0.00           N  
HETATM   25  S   UNL     1      -2.298   0.597  -1.803  1.00  0.00           S  
HETATM   26  O   UNL     1      -3.522   1.216  -2.175  1.00  0.00           O  
HETATM   27  O   UNL     1      -1.648  -0.439  -2.525  1.00  0.00           O  
HETATM   28  C   UNL     1      -2.558  -0.039  -0.181  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.559   0.508   0.618  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.786   0.039   1.876  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.982  -1.568   1.565  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.000  -1.011   2.379  1.00  0.00           C  
HETATM   33  C   UNL     1      -1.781  -1.061   0.269  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.205  -1.522   3.671  1.00  0.00           C  
HETATM   35  C   UNL     1      -2.424  -2.541   4.124  1.00  0.00           C  
HETATM   36  C   UNL     1      -1.423  -3.088   3.324  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.196  -2.619   2.067  1.00  0.00           C  
HETATM   38  H   UNL     1       2.399  -0.479  -2.613  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.341   2.248  -4.409  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.595   0.743  -6.338  1.00  0.00           H  
HETATM   41  H   UNL     1       0.639  -1.383  -6.416  1.00  0.00           H  
HETATM   42  H   UNL     1       2.692  -4.035  -5.665  1.00  0.00           H  
HETATM   43  H   UNL     1       1.615  -2.955  -6.370  1.00  0.00           H  
HETATM   44  H   UNL     1       3.624  -3.514  -3.603  1.00  0.00           H  
HETATM   45  H   UNL     1       1.048   2.931  -2.544  1.00  0.00           H  
HETATM   46  H   UNL     1       2.191   1.791  -1.792  1.00  0.00           H  
HETATM   47  H   UNL     1       0.229   0.497  -0.897  1.00  0.00           H  
HETATM   48  H   UNL     1       3.183   1.126   0.592  1.00  0.00           H  
HETATM   49  H   UNL     1       1.782   0.297  -0.134  1.00  0.00           H  
HETATM   50  H   UNL     1       2.725  -0.919   1.861  1.00  0.00           H  
HETATM   51  H   UNL     1       1.022  -0.444   2.072  1.00  0.00           H  
HETATM   52  H   UNL     1       0.430   1.500   3.487  1.00  0.00           H  
HETATM   53  H   UNL     1       1.702   2.440   4.305  1.00  0.00           H  
HETATM   54  H   UNL     1       2.529   3.273   2.154  1.00  0.00           H  
HETATM   55  H   UNL     1       0.778   3.592   2.263  1.00  0.00           H  
HETATM   56  H   UNL     1       3.435   1.109   3.114  1.00  0.00           H  
HETATM   57  H   UNL     1       2.858   0.012   7.702  1.00  0.00           H  
HETATM   58  H   UNL     1       1.576  -0.944   6.922  1.00  0.00           H  
HETATM   59  H   UNL     1       3.284  -1.385   6.685  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.431   2.721  -1.961  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.164   1.316   0.235  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.565   0.474   2.485  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.012  -1.479  -0.363  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.977  -1.107   4.303  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.583  -2.931   5.119  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.818  -3.896   3.708  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.416  -3.053   1.458  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1    6   38                                       
CONECT    3    1    4    4   39                                       
CONECT    4    3    3    5   40                                       
CONECT    5    4    6    6   41                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   42   43                                            
CONECT    9    7    7   44                                            
CONECT   10    1   11   45   46                                       
CONECT   11   10   12   24   47                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   18                                            
CONECT   15   14   16   48   49                                       
CONECT   16   15   19   50   51                                       
CONECT   17   18   19   52   53                                       
CONECT   18   14   17   54   55                                       
CONECT   19   16   17   20   56                                       
CONECT   20   19   21   21   22                                       
CONECT   21   20   20                                                 
CONECT   22   20   23                                                 
CONECT   23   22   57   58   59                                       
CONECT   24   11   25   60                                            
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   29   33                                       
CONECT   29   28   28   30   61                                       
CONECT   30   29   32   32   62                                       
CONECT   31   32   33   33   37                                       
CONECT   32   30   30   31   34                                       
CONECT   33   28   31   31   63                                       
CONECT   34   32   35   35   64                                       
CONECT   35   34   34   36   65                                       
CONECT   36   35   37   37   66                                       
CONECT   37   31   36   36   67                                       
CONECT   38    2                                                      
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   33                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
MASTER        0    0    0    0    0    0    0    0   67    0   67    0
END
