COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.363   1.078   0.830  1.00  0.00           C  
HETATM    2  C   UNL     1       0.955   0.377   0.597  1.00  0.00           C  
HETATM    3  C   UNL     1       2.245   0.731   1.290  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.430   0.123   0.252  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.375  -2.615  -2.083  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.066  -2.106  -0.899  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.177  -2.940   0.316  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.239  -2.752   1.201  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.337  -3.534   2.333  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.385  -4.503   2.593  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.328  -4.694   1.720  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.222  -3.923   0.581  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.601  -0.676  -0.791  1.00  0.00           C  
HETATM   14  C   UNL     1       2.933   1.872   0.537  1.00  0.00           C  
HETATM   15  C   UNL     1       4.243   2.231   1.240  1.00  0.00           C  
HETATM   16  C   UNL     1       4.930   3.372   0.487  1.00  0.00           C  
HETATM   17  C   UNL     1       6.241   3.731   1.190  1.00  0.00           C  
HETATM   18  C   UNL     1       6.928   4.871   0.437  1.00  0.00           C  
HETATM   19  C   UNL     1       0.823  -0.588  -0.295  1.00  0.00           C  
HETATM   20  C   UNL     1       1.924  -1.464  -0.749  1.00  0.00           C  
HETATM   21  C   UNL     1       2.467  -2.413   0.119  1.00  0.00           C  
HETATM   22  C   UNL     1       3.493  -3.228  -0.310  1.00  0.00           C  
HETATM   23  C   UNL     1       3.986  -3.106  -1.597  1.00  0.00           C  
HETATM   24  C   UNL     1       3.452  -2.168  -2.463  1.00  0.00           C  
HETATM   25  C   UNL     1       2.420  -1.351  -2.048  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.423   0.947  -0.600  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.584   1.332  -1.843  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.745   0.069  -2.128  1.00  0.00           C  
HETATM   29  N   UNL     1      -2.855   2.145   0.123  1.00  0.00           N  
HETATM   30  N   UNL     1      -5.417   1.557   0.567  1.00  0.00           N  
HETATM   31  O   UNL     1      -4.517   3.844   0.790  1.00  0.00           O  
HETATM   32  O   UNL     1      -4.655   2.750  -1.453  1.00  0.00           O  
HETATM   33  S   UNL     1      -4.403   2.708  -0.056  1.00  0.00           S  
HETATM   34  H   UNL     1      -0.528   1.230   1.896  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.384   2.033   0.304  1.00  0.00           H  
HETATM   36  H   UNL     1       2.035   1.046   2.312  1.00  0.00           H  
HETATM   37  H   UNL     1       2.900  -0.140   1.306  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.917  -0.493   1.008  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.808  -3.602  -2.150  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.193  -2.043  -2.981  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.984  -1.995   0.999  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.159  -3.389   3.018  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.466  -5.112   3.481  1.00  0.00           H  
HETATM   44  H   UNL     1       0.413  -5.452   1.929  1.00  0.00           H  
HETATM   45  H   UNL     1       0.600  -4.077  -0.102  1.00  0.00           H  
HETATM   46  H   UNL     1       3.143   1.557  -0.486  1.00  0.00           H  
HETATM   47  H   UNL     1       2.278   2.743   0.521  1.00  0.00           H  
HETATM   48  H   UNL     1       4.032   2.545   2.262  1.00  0.00           H  
HETATM   49  H   UNL     1       4.898   1.359   1.256  1.00  0.00           H  
HETATM   50  H   UNL     1       5.141   3.057  -0.535  1.00  0.00           H  
HETATM   51  H   UNL     1       4.276   4.243   0.471  1.00  0.00           H  
HETATM   52  H   UNL     1       6.030   4.045   2.212  1.00  0.00           H  
HETATM   53  H   UNL     1       6.895   2.859   1.206  1.00  0.00           H  
HETATM   54  H   UNL     1       7.139   4.557  -0.585  1.00  0.00           H  
HETATM   55  H   UNL     1       6.273   5.743   0.421  1.00  0.00           H  
HETATM   56  H   UNL     1       7.861   5.127   0.938  1.00  0.00           H  
HETATM   57  H   UNL     1       2.084  -2.509   1.124  1.00  0.00           H  
HETATM   58  H   UNL     1       3.915  -3.963   0.360  1.00  0.00           H  
HETATM   59  H   UNL     1       4.793  -3.743  -1.927  1.00  0.00           H  
HETATM   60  H   UNL     1       3.840  -2.078  -3.466  1.00  0.00           H  
HETATM   61  H   UNL     1       2.004  -0.619  -2.724  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.282   0.340  -0.886  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.235   1.547  -2.691  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.949   2.191  -1.624  1.00  0.00           H  
HETATM   65  H   UNL     1       0.236   0.372  -2.494  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.236  -0.571  -2.861  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.235   2.610   0.707  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.052   0.740   0.943  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.377   1.699   0.557  1.00  0.00           H  
CONECT    1    2    4   34   35                                       
CONECT    2   19   19    3    1                                       
CONECT    3   14    2   36   37                                       
CONECT    4   13    1   26   38                                       
CONECT    5    6    6   39   40                                       
CONECT    6    5    5   13    7                                       
CONECT    7    6   12   12    8                                       
CONECT    8    7    9    9   41                                       
CONECT    9    8    8   10   42                                       
CONECT   10   11   11    9   43                                       
CONECT   11   12   10   10   44                                       
CONECT   12    7    7   11   45                                       
CONECT   13   19    6   28    4                                       
CONECT   14   15    3   46   47                                       
CONECT   15   16   14   48   49                                       
CONECT   16   15   17   50   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   17   54   55   56                                       
CONECT   19   20   13    2    2                                       
CONECT   20   25   25   21   19                                       
CONECT   21   22   22   20   57                                       
CONECT   22   23   21   21   58                                       
CONECT   23   24   24   22   59                                       
CONECT   24   23   23   25   60                                       
CONECT   25   24   20   20   61                                       
CONECT   26   27    4   29   62                                       
CONECT   27   28   26   63   64                                       
CONECT   28   13   27   65   66                                       
CONECT   29   26   33   67                                            
CONECT   30   33   68   69                                            
CONECT   31   33   33                                                 
CONECT   32   33   33                                                 
CONECT   33   29   30   32   32                                       
CONECT   33   31   31                                                 
CONECT   34    1                                                      
CONECT   35    1                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
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   18                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   29                                                      
CONECT   68   30                                                      
CONECT   69   30                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
