COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -5.915   1.622   1.827  1.00  0.00           N  
HETATM    2  C   UNL     1      -5.880   0.918   0.713  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.327   1.457  -0.479  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.810   2.756  -0.493  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.139  -2.184  -0.540  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.925  -1.778   1.810  1.00  0.00           C  
HETATM    7  C   UNL     1       1.027  -1.105  -0.790  1.00  0.00           C  
HETATM    8  C   UNL     1       1.875   0.112  -1.058  1.00  0.00           C  
HETATM    9  C   UNL     1       0.551   0.678  -3.100  1.00  0.00           C  
HETATM   10  C   UNL     1       0.073   2.008  -2.514  1.00  0.00           C  
HETATM   11  C   UNL     1       3.990   0.943  -0.179  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.826   3.468   0.697  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.363   2.862   1.850  1.00  0.00           C  
HETATM   14  S   UNL     1      -5.263  -0.732   0.745  1.00  0.00           S  
HETATM   15  O   UNL     1      -5.394  -1.167   2.091  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.830  -1.378  -0.387  1.00  0.00           O  
HETATM   17  N   UNL     1      -3.630  -0.658   0.451  1.00  0.00           N  
HETATM   18  C   UNL     1      -3.160  -0.733  -0.929  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.498  -2.071  -1.220  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.281  -2.454   0.923  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.713  -0.520   1.577  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.349  -3.130  -0.767  1.00  0.00           O  
HETATM   23  C   UNL     1      -1.799   0.691   1.410  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.317  -1.003  -0.791  1.00  0.00           N  
HETATM   25  O   UNL     1       1.554  -2.175  -0.572  1.00  0.00           O  
HETATM   26  C   UNL     1       1.949   0.359  -2.566  1.00  0.00           C  
HETATM   27  C   UNL     1       0.599   0.780  -4.626  1.00  0.00           C  
HETATM   28  N   UNL     1       3.225  -0.108  -0.532  1.00  0.00           N  
HETATM   29  O   UNL     1       3.526   2.068  -0.198  1.00  0.00           O  
HETATM   30  C   UNL     1       5.386   0.732   0.231  1.00  0.00           C  
HETATM   31  C   UNL     1       6.249   1.713   0.601  1.00  0.00           C  
HETATM   32  C   UNL     1       7.508   1.044   0.924  1.00  0.00           C  
HETATM   33  C   UNL     1       7.280  -0.327   0.701  1.00  0.00           C  
HETATM   34  O   UNL     1       6.005  -0.466   0.290  1.00  0.00           O  
HETATM   35  C   UNL     1       8.760   1.484   1.361  1.00  0.00           C  
HETATM   36  C   UNL     1       9.761   0.577   1.572  1.00  0.00           C  
HETATM   37  C   UNL     1       9.541  -0.776   1.353  1.00  0.00           C  
HETATM   38  C   UNL     1       8.313  -1.230   0.921  1.00  0.00           C  
HETATM   39  H   UNL     1      -6.299   0.874  -1.387  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.165   3.204  -1.410  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.612  -3.049  -0.992  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.892  -2.166   2.842  1.00  0.00           H  
HETATM   43  H   UNL     1       1.432   0.979  -0.569  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.138  -0.115  -2.810  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.062   1.904  -1.438  1.00  0.00           H  
HETATM   46  H   UNL     1       0.815   2.781  -2.714  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.875   2.288  -2.974  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.196   4.482   0.723  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.373   3.410   2.781  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.031  -0.631  -1.590  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.483   0.085  -1.148  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.367  -2.173  -2.303  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.767  -3.356   1.300  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.331  -0.339   2.481  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.182  -3.045  -1.250  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.141   0.534   0.555  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.404   1.582   1.244  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.200   0.821   2.311  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.738  -0.146  -0.960  1.00  0.00           H  
HETATM   60  H   UNL     1       2.333  -0.532  -3.062  1.00  0.00           H  
HETATM   61  H   UNL     1       2.614   1.200  -2.764  1.00  0.00           H  
HETATM   62  H   UNL     1       1.288   1.573  -4.915  1.00  0.00           H  
HETATM   63  H   UNL     1       0.940  -0.168  -5.042  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.397   1.007  -5.006  1.00  0.00           H  
HETATM   65  H   UNL     1       3.568  -1.011  -0.439  1.00  0.00           H  
HETATM   66  H   UNL     1       6.045   2.773   0.650  1.00  0.00           H  
HETATM   67  H   UNL     1       8.936   2.535   1.533  1.00  0.00           H  
HETATM   68  H   UNL     1      10.729   0.916   1.910  1.00  0.00           H  
HETATM   69  H   UNL     1      10.341  -1.481   1.523  1.00  0.00           H  
HETATM   70  H   UNL     1       8.154  -2.285   0.755  1.00  0.00           H  
CONECT    1    2   13   13                                            
CONECT    2    1    3    3   14                                       
CONECT    3    2    2    4   39                                       
CONECT    4    3   12   12   40                                       
CONECT    5   19   20   24   41                                       
CONECT    6   20   20   21   42                                       
CONECT    7    8   24   25   25                                       
CONECT    8    7   26   28   43                                       
CONECT    9   10   26   27   44                                       
CONECT   10    9   45   46   47                                       
CONECT   11   28   29   29   30                                       
CONECT   12    4    4   13   48                                       
CONECT   13    1    1   12   49                                       
CONECT   14    2   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   21                                            
CONECT   18   17   19   50   51                                       
CONECT   19    5   18   22   52                                       
CONECT   20    5    6    6   53                                       
CONECT   21    6   17   23   54                                       
CONECT   22   19   55                                                 
CONECT   23   21   56   57   58                                       
CONECT   24    5    7   59                                            
CONECT   25    7    7                                                 
CONECT   26    8    9   60   61                                       
CONECT   27    9   62   63   64                                       
CONECT   28    8   11   65                                            
CONECT   29   11   11                                                 
CONECT   30   11   31   31   34                                       
CONECT   31   30   30   32   66                                       
CONECT   32   31   33   35   35                                       
CONECT   33   32   34   38   38                                       
CONECT   34   30   33                                                 
CONECT   35   32   32   36   67                                       
CONECT   36   35   37   37   68                                       
CONECT   37   36   36   38   69                                       
CONECT   38   33   33   37   70                                       
CONECT   39    3                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   27                                                      
CONECT   65   28                                                      
CONECT   66   31                                                      
CONECT   67   35                                                      
CONECT   68   36                                                      
CONECT   69   37                                                      
CONECT   70   38                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
