COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.831  -0.092   3.152  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.037  -1.045   3.757  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.957   1.164   3.715  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.295   1.472   4.890  1.00  0.00           C  
HETATM    5  C   UNL     1       0.496   0.526   5.507  1.00  0.00           C  
HETATM    6  C   UNL     1       0.628  -0.743   4.945  1.00  0.00           C  
HETATM    7  C   UNL     1       1.475  -1.763   5.603  1.00  0.00           C  
HETATM    8  N   UNL     1       2.136  -1.459   6.773  1.00  0.00           N  
HETATM    9  N   UNL     1       1.597  -2.947   5.075  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.556  -0.420   1.872  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.664  -0.076   0.678  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.316  -0.558  -0.591  1.00  0.00           C  
HETATM   13  O   UNL     1      -0.823  -1.472  -1.217  1.00  0.00           O  
HETATM   14  N   UNL     1      -2.448   0.026  -1.031  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.997  -0.305  -2.353  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.464  -0.729  -2.181  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.616   0.576  -0.054  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.154   1.011  -0.200  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.225   0.375  -1.444  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.211  -1.440  -2.957  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.992  -1.213  -3.472  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.678  -2.554  -2.979  1.00  0.00           O  
HETATM   23  N   UNL     1      -0.477   1.375   0.611  1.00  0.00           N  
HETATM   24  S   UNL     1       1.032   2.004   0.350  1.00  0.00           S  
HETATM   25  O   UNL     1       0.842   3.400   0.167  1.00  0.00           O  
HETATM   26  O   UNL     1       1.872   1.410   1.331  1.00  0.00           O  
HETATM   27  C   UNL     1       1.598   1.390  -1.200  1.00  0.00           C  
HETATM   28  C   UNL     1       1.324   2.107  -2.364  1.00  0.00           C  
HETATM   29  C   UNL     1       1.747   1.660  -3.578  1.00  0.00           C  
HETATM   30  C   UNL     1       2.750  -0.269  -2.480  1.00  0.00           C  
HETATM   31  C   UNL     1       2.472   0.459  -3.663  1.00  0.00           C  
HETATM   32  C   UNL     1       2.302   0.226  -1.243  1.00  0.00           C  
HETATM   33  C   UNL     1       2.925  -0.033  -4.898  1.00  0.00           C  
HETATM   34  C   UNL     1       3.625  -1.200  -4.942  1.00  0.00           C  
HETATM   35  C   UNL     1       3.899  -1.916  -3.779  1.00  0.00           C  
HETATM   36  C   UNL     1       3.475  -1.470  -2.565  1.00  0.00           C  
HETATM   37  H   UNL     1       0.061  -2.027   3.317  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.576   1.908   3.235  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.398   2.456   5.324  1.00  0.00           H  
HETATM   40  H   UNL     1       1.012   0.767   6.425  1.00  0.00           H  
HETATM   41  H   UNL     1       2.691  -2.128   7.204  1.00  0.00           H  
HETATM   42  H   UNL     1       2.049  -0.576   7.164  1.00  0.00           H  
HETATM   43  H   UNL     1       1.132  -3.161   4.251  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.795  -1.483   1.853  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.477   0.160   1.818  1.00  0.00           H  
HETATM   46  H   UNL     1       0.304  -0.562   0.796  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.942   0.565  -3.006  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.513  -1.652  -1.603  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.913  -0.888  -3.161  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.664  -0.358   0.502  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.173   1.347   0.478  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.688   1.060   0.783  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.109   1.990  -0.677  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.272   0.090  -1.343  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.154   1.304  -2.009  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.488  -1.941  -3.860  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.237   1.967   0.718  1.00  0.00           H  
HETATM   58  H   UNL     1       0.767   3.030  -2.301  1.00  0.00           H  
HETATM   59  H   UNL     1       1.527   2.226  -4.471  1.00  0.00           H  
HETATM   60  H   UNL     1       2.511  -0.316  -0.333  1.00  0.00           H  
HETATM   61  H   UNL     1       2.720   0.511  -5.808  1.00  0.00           H  
HETATM   62  H   UNL     1       3.972  -1.576  -5.893  1.00  0.00           H  
HETATM   63  H   UNL     1       4.455  -2.840  -3.842  1.00  0.00           H  
HETATM   64  H   UNL     1       3.694  -2.036  -1.672  1.00  0.00           H  
CONECT    1    2    2    3   10                                       
CONECT    2    1    1    6   37                                       
CONECT    3    1    4    4   38                                       
CONECT    4    3    3    5   39                                       
CONECT    5    4    6    6   40                                       
CONECT    6    2    5    5    7                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   41   42                                            
CONECT    9    7    7   43                                            
CONECT   10    1   11   44   45                                       
CONECT   11   10   12   23   46                                       
CONECT   12   11   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   18                                            
CONECT   15   14   16   20   47                                       
CONECT   16   15   19   48   49                                       
CONECT   17   18   19   50   51                                       
CONECT   18   14   17   52   53                                       
CONECT   19   16   17   54   55                                       
CONECT   20   15   21   22   22                                       
CONECT   21   20   56                                                 
CONECT   22   20   20                                                 
CONECT   23   11   24   57                                            
CONECT   24   23   25   25   26                                       
CONECT   24   26   27                                                 
CONECT   25   24   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28   28   32                                       
CONECT   28   27   27   29   58                                       
CONECT   29   28   31   31   59                                       
CONECT   30   31   32   32   36                                       
CONECT   31   29   29   30   33                                       
CONECT   32   27   30   30   60                                       
CONECT   33   31   34   34   61                                       
CONECT   34   33   33   35   62                                       
CONECT   35   34   36   36   63                                       
CONECT   36   30   35   35   64                                       
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44   10                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   19                                                      
CONECT   55   19                                                      
CONECT   56   21                                                      
CONECT   57   23                                                      
CONECT   58   28                                                      
CONECT   59   29                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   36                                                      
MASTER        0    0    0    0    0    0    0    0   64    0   64    0
END
