COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.046   3.656  -1.604  1.00  0.00           O  
HETATM    2  S   UNL     1       4.193   3.752  -0.770  1.00  0.00           S  
HETATM    3  O   UNL     1       5.502   3.761  -1.323  1.00  0.00           O  
HETATM    4  O   UNL     1       4.059   5.113  -0.102  1.00  0.00           O  
HETATM    5  C   UNL     1       4.088   2.564   0.597  1.00  0.00           C  
HETATM    6  C   UNL     1       4.211   1.141   0.047  1.00  0.00           C  
HETATM    7  C   UNL     1       4.122   0.140   1.200  1.00  0.00           C  
HETATM    8  N   UNL     1       4.241  -1.222   0.674  1.00  0.00           N  
HETATM    9  C   UNL     1       5.420  -1.942   0.504  1.00  0.00           C  
HETATM   10  C   UNL     1       6.754  -1.650   0.749  1.00  0.00           C  
HETATM   11  C   UNL     1       7.725  -2.592   0.471  1.00  0.00           C  
HETATM   12  C   UNL     1       7.371  -3.824  -0.050  1.00  0.00           C  
HETATM   13  C   UNL     1       6.045  -4.123  -0.297  1.00  0.00           C  
HETATM   14  C   UNL     1       5.062  -3.184  -0.021  1.00  0.00           C  
HETATM   15  O   UNL     1       3.714  -3.196  -0.157  1.00  0.00           O  
HETATM   16  C   UNL     1       3.216  -2.022   0.264  1.00  0.00           C  
HETATM   17  C   UNL     1       1.870  -1.677   0.278  1.00  0.00           C  
HETATM   18  C   UNL     1       0.919  -2.580  -0.166  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.430  -2.234  -0.153  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.819  -0.990   0.302  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.166  -0.600   0.216  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.121  -1.414  -0.453  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.785  -2.467  -0.965  1.00  0.00           O  
HETATM   24  C   UNL     1      -2.613   0.615   0.802  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.832   1.342   1.390  1.00  0.00           O  
HETATM   26  N   UNL     1      -3.914   0.952   0.697  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.388   2.202   1.296  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.273   3.334   0.272  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.767   4.640   0.898  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.652   5.771  -0.125  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.783   0.157   0.049  1.00  0.00           C  
HETATM   32  S   UNL     1      -6.424   0.633  -0.055  1.00  0.00           S  
HETATM   33  N   UNL     1      -4.403  -1.003  -0.512  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.397  -1.831  -1.200  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.021  -2.810  -0.204  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.059  -3.676  -0.922  1.00  0.00           C  
HETATM   37  C   UNL     1      -7.683  -4.655   0.074  1.00  0.00           C  
HETATM   38  H   UNL     1       4.896   2.751   1.304  1.00  0.00           H  
HETATM   39  H   UNL     1       3.129   2.676   1.102  1.00  0.00           H  
HETATM   40  H   UNL     1       3.404   0.954  -0.660  1.00  0.00           H  
HETATM   41  H   UNL     1       5.170   1.029  -0.459  1.00  0.00           H  
HETATM   42  H   UNL     1       4.930   0.327   1.907  1.00  0.00           H  
HETATM   43  H   UNL     1       3.163   0.252   1.706  1.00  0.00           H  
HETATM   44  H   UNL     1       7.032  -0.689   1.155  1.00  0.00           H  
HETATM   45  H   UNL     1       8.764  -2.366   0.661  1.00  0.00           H  
HETATM   46  H   UNL     1       8.135  -4.556  -0.266  1.00  0.00           H  
HETATM   47  H   UNL     1       5.775  -5.086  -0.704  1.00  0.00           H  
HETATM   48  H   UNL     1       1.566  -0.703   0.634  1.00  0.00           H  
HETATM   49  H   UNL     1       1.223  -3.554  -0.522  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.172  -2.939  -0.499  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.088  -0.317   0.724  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.429   2.089   1.597  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.781   2.440   2.169  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.231   3.447  -0.029  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.880   3.097  -0.601  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.809   4.527   1.199  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.160   4.877   1.772  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.610   5.884  -0.426  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.259   5.534  -0.999  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.004   6.701   0.320  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.175  -1.193  -1.619  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.913  -2.388  -2.002  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.243  -3.448   0.215  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.505  -2.253   0.598  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.837  -3.038  -1.341  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.575  -4.233  -1.724  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.905  -5.293   0.492  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.167  -4.098   0.876  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.422  -5.272  -0.438  1.00  0.00           H  
HETATM   70  H   UNL     1       4.097   5.858  -0.717  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4    5                                                 
CONECT    3    2    2                                                 
CONECT    4    2   70                                                 
CONECT    5    2    6   38   39                                       
CONECT    6    7    5   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7   16    9                                            
CONECT    9    8   14   14   10                                       
CONECT   10    9   11   11   44                                       
CONECT   11   10   10   12   45                                       
CONECT   12   13   13   11   46                                       
CONECT   13   14   12   12   47                                       
CONECT   14   15    9    9   13                                       
CONECT   15   16   14                                                 
CONECT   16   17   17    8   15                                       
CONECT   17   18   16   16   48                                       
CONECT   18   17   19   19   49                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   22   24                                       
CONECT   22   23   23   21   33                                       
CONECT   23   22   22                                                 
CONECT   24   21   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   31   27                                            
CONECT   27   26   28   52   53                                       
CONECT   28   27   29   54   55                                       
CONECT   29   28   30   56   57                                       
CONECT   30   29   58   59   60                                       
CONECT   31   33   26   32   32                                       
CONECT   32   31   31                                                 
CONECT   33   22   34   31                                            
CONECT   34   35   33   61   62                                       
CONECT   35   36   34   63   64                                       
CONECT   36   37   35   65   66                                       
CONECT   37   36   67   68   69                                       
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44   10                                                      
CONECT   45   11                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   30                                                      
CONECT   60   30                                                      
CONECT   61   34                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   35                                                      
CONECT   65   36                                                      
CONECT   66   36                                                      
CONECT   67   37                                                      
CONECT   68   37                                                      
CONECT   69   37                                                      
CONECT   70    4                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
