COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.097   0.699  -0.449  1.00  0.00           C  
HETATM    2  C   UNL     1       5.942   0.687  -2.882  1.00  0.00           C  
HETATM    3  C   UNL     1       3.027  -0.200  -0.841  1.00  0.00           C  
HETATM    4  C   UNL     1       5.263   0.123  -1.610  1.00  0.00           C  
HETATM    5  C   UNL     1       0.799  -0.681   0.020  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.624  -0.432  -0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       0.879  -0.344   1.510  1.00  0.00           C  
HETATM    8  C   UNL     1       2.245  -0.704   2.035  1.00  0.00           C  
HETATM    9  C   UNL     1       3.264   0.229   2.006  1.00  0.00           C  
HETATM   10  C   UNL     1       2.477  -1.966   2.550  1.00  0.00           C  
HETATM   11  C   UNL     1       4.517  -0.102   2.487  1.00  0.00           C  
HETATM   12  C   UNL     1       3.730  -2.296   3.031  1.00  0.00           C  
HETATM   13  C   UNL     1       4.751  -1.365   2.997  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.585  -1.404   0.203  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.243  -1.699  -1.695  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.619  -3.181  -1.644  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.886   1.249   0.392  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.494   1.919  -0.654  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.329   3.283  -0.791  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.552   3.982   0.124  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.943   3.306   1.174  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.112   1.941   1.304  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.914  -3.351  -0.848  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.822  -3.705  -3.067  1.00  0.00           C  
HETATM   25  C   UNL     1       7.356   1.050  -2.361  1.00  0.00           C  
HETATM   26  N   UNL     1       1.735   0.166  -0.723  1.00  0.00           N  
HETATM   27  N   UNL     1      -2.933  -1.226  -0.344  1.00  0.00           N  
HETATM   28  N   UNL     1      -3.383   5.362  -0.011  1.00  0.00           N  
HETATM   29  O   UNL     1       3.888   0.579  -1.524  1.00  0.00           O  
HETATM   30  O   UNL     1       3.415  -1.232  -0.331  1.00  0.00           O  
HETATM   31  O   UNL     1      -1.008   0.911  -0.182  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.812  -0.798   1.922  1.00  0.00           O  
HETATM   33  O   UNL     1      -5.346  -0.803  -0.051  1.00  0.00           O  
HETATM   34  O   UNL     1       7.107   1.543  -1.027  1.00  0.00           O  
HETATM   35  S   UNL     1      -4.105  -0.491   0.566  1.00  0.00           S  
HETATM   36  H   UNL     1       5.457   1.285   0.211  1.00  0.00           H  
HETATM   37  H   UNL     1       6.566  -0.112   0.108  1.00  0.00           H  
HETATM   38  H   UNL     1       5.999  -0.072  -3.662  1.00  0.00           H  
HETATM   39  H   UNL     1       5.420   1.574  -3.241  1.00  0.00           H  
HETATM   40  H   UNL     1       5.306  -0.967  -1.606  1.00  0.00           H  
HETATM   41  H   UNL     1       1.060  -1.729  -0.130  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.660  -0.587  -1.562  1.00  0.00           H  
HETATM   43  H   UNL     1       0.705   0.723   1.651  1.00  0.00           H  
HETATM   44  H   UNL     1       0.121  -0.910   2.052  1.00  0.00           H  
HETATM   45  H   UNL     1       3.082   1.216   1.607  1.00  0.00           H  
HETATM   46  H   UNL     1       1.679  -2.693   2.577  1.00  0.00           H  
HETATM   47  H   UNL     1       5.314   0.627   2.464  1.00  0.00           H  
HETATM   48  H   UNL     1       3.911  -3.282   3.434  1.00  0.00           H  
HETATM   49  H   UNL     1       5.730  -1.624   3.373  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.254  -2.428   0.027  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.599  -1.206   1.275  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.371  -1.567  -2.336  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.079  -1.126  -2.097  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.819  -3.742  -1.160  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.097   1.375  -1.366  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.803   3.806  -1.608  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.338   3.846   1.887  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.639   1.415   2.120  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.714  -2.790  -1.331  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.182  -4.407  -0.811  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.770  -2.978   0.166  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.898  -3.584  -3.634  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.089  -4.761  -3.030  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.621  -3.145  -3.550  1.00  0.00           H  
HETATM   65  H   UNL     1       7.993   0.166  -2.331  1.00  0.00           H  
HETATM   66  H   UNL     1       7.805   1.827  -2.980  1.00  0.00           H  
HETATM   67  H   UNL     1       1.426   0.990  -1.130  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.808   5.833  -0.744  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.840   5.849   0.629  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.933   1.140   0.754  1.00  0.00           H  
CONECT    1    4   34   36   37                                       
CONECT    2    4   25   38   39                                       
CONECT    3   26   29   30   30                                       
CONECT    4    1    2   29   40                                       
CONECT    5    6    7   26   41                                       
CONECT    6    5   14   31   42                                       
CONECT    7    5    8   43   44                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8   11   45                                       
CONECT   10    8   12   12   46                                       
CONECT   11    9   13   13   47                                       
CONECT   12   10   10   13   48                                       
CONECT   13   11   11   12   49                                       
CONECT   14    6   27   50   51                                       
CONECT   15   16   27   52   53                                       
CONECT   16   15   23   24   54                                       
CONECT   17   18   18   22   35                                       
CONECT   18   17   17   19   55                                       
CONECT   19   18   20   20   56                                       
CONECT   20   19   19   21   28                                       
CONECT   21   20   22   22   57                                       
CONECT   22   17   21   21   58                                       
CONECT   23   16   59   60   61                                       
CONECT   24   16   62   63   64                                       
CONECT   25    2   34   65   66                                       
CONECT   26    3    5   67                                            
CONECT   27   14   15   35                                            
CONECT   28   20   68   69                                            
CONECT   29    3    4                                                 
CONECT   30    3    3                                                 
CONECT   31    6   70                                                 
CONECT   32   35   35                                                 
CONECT   33   35   35                                                 
CONECT   34    1   25                                                 
CONECT   35   17   27   32   32                                       
CONECT   35   33   33                                                 
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    9                                                      
CONECT   46   10                                                      
CONECT   47   11                                                      
CONECT   48   12                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   21                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   26                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
