COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.065  -0.896  -2.831  1.00  0.00           O  
HETATM    2  O   UNL     1       8.992   1.466  -1.295  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.828   1.353  -0.817  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.133   0.836  -1.430  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.881  -0.495  -2.139  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.505  -1.567  -1.111  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.280  -1.094  -0.354  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.225  -1.905  -0.138  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.059  -1.411   0.599  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.016  -2.213   0.812  1.00  0.00           C  
HETATM   11  C   UNL     1       0.024  -3.649   0.310  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.299   0.301   0.138  1.00  0.00           C  
HETATM   13  C   UNL     1       1.325  -3.922  -0.443  1.00  0.00           C  
HETATM   14  C   UNL     1       2.553  -3.441   0.348  1.00  0.00           C  
HETATM   15  C   UNL     1       2.392  -1.958   0.584  1.00  0.00           C  
HETATM   16  C   UNL     1       1.204  -1.763   1.559  1.00  0.00           C  
HETATM   17  C   UNL     1       1.312  -0.266   1.860  1.00  0.00           C  
HETATM   18  C   UNL     1       2.843  -0.060   2.034  1.00  0.00           C  
HETATM   19  C   UNL     1       3.527  -1.207   1.262  1.00  0.00           C  
HETATM   20  C   UNL     1       2.067  -1.268  -0.743  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.870   0.617   1.360  1.00  0.00           C  
HETATM   22  C   UNL     1       4.482  -0.630   0.215  1.00  0.00           C  
HETATM   23  C   UNL     1       5.177  -1.773  -0.527  1.00  0.00           C  
HETATM   24  C   UNL     1       5.532   0.241   0.908  1.00  0.00           C  
HETATM   25  C   UNL     1       6.411   0.917  -0.146  1.00  0.00           C  
HETATM   26  C   UNL     1       7.461   1.788   0.547  1.00  0.00           C  
HETATM   27  C   UNL     1       8.339   2.464  -0.507  1.00  0.00           C  
HETATM   28  C   UNL     1       9.389   3.335   0.186  1.00  0.00           C  
HETATM   29  C   UNL     1       7.469   3.338  -1.412  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.870   1.590  -1.851  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.102   0.649  -0.397  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.906   1.801  -0.138  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.903   1.487   0.980  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.764   2.721   1.257  1.00  0.00           C  
HETATM   35  O   UNL     1      -9.694   2.427   2.301  1.00  0.00           O  
HETATM   36  H   UNL     1      -5.979  -1.735  -3.305  1.00  0.00           H  
HETATM   37  H   UNL     1       9.563   0.874  -0.785  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.018   2.279  -0.274  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.508   1.564  -2.150  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.066  -0.377  -2.853  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.332  -1.716  -0.416  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.281  -2.503  -1.622  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.239  -2.920  -0.508  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.045  -0.396   0.969  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.048  -4.328   1.159  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.820  -3.819  -0.359  1.00  0.00           H  
HETATM   47  H   UNL     1       1.414  -4.993  -0.621  1.00  0.00           H  
HETATM   48  H   UNL     1       1.295  -3.405  -1.402  1.00  0.00           H  
HETATM   49  H   UNL     1       2.606  -3.964   1.303  1.00  0.00           H  
HETATM   50  H   UNL     1       3.460  -3.628  -0.228  1.00  0.00           H  
HETATM   51  H   UNL     1       1.344  -2.357   2.463  1.00  0.00           H  
HETATM   52  H   UNL     1       0.935   0.324   1.025  1.00  0.00           H  
HETATM   53  H   UNL     1       0.782  -0.018   2.780  1.00  0.00           H  
HETATM   54  H   UNL     1       3.141   0.905   1.624  1.00  0.00           H  
HETATM   55  H   UNL     1       3.112  -0.117   3.089  1.00  0.00           H  
HETATM   56  H   UNL     1       4.064  -1.867   1.943  1.00  0.00           H  
HETATM   57  H   UNL     1       1.089  -1.595  -1.093  1.00  0.00           H  
HETATM   58  H   UNL     1       2.058  -0.187  -0.598  1.00  0.00           H  
HETATM   59  H   UNL     1       2.824  -1.528  -1.483  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.498  -0.154   2.018  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.895   1.644   1.692  1.00  0.00           H  
HETATM   62  H   UNL     1       3.920  -0.024  -0.495  1.00  0.00           H  
HETATM   63  H   UNL     1       5.684  -2.417   0.191  1.00  0.00           H  
HETATM   64  H   UNL     1       4.435  -2.354  -1.075  1.00  0.00           H  
HETATM   65  H   UNL     1       5.906  -1.363  -1.225  1.00  0.00           H  
HETATM   66  H   UNL     1       5.034   1.002   1.509  1.00  0.00           H  
HETATM   67  H   UNL     1       6.153  -0.382   1.553  1.00  0.00           H  
HETATM   68  H   UNL     1       6.909   0.156  -0.747  1.00  0.00           H  
HETATM   69  H   UNL     1       6.963   2.549   1.148  1.00  0.00           H  
HETATM   70  H   UNL     1       8.892   4.096   0.786  1.00  0.00           H  
HETATM   71  H   UNL     1      10.010   2.712   0.830  1.00  0.00           H  
HETATM   72  H   UNL     1      10.015   3.816  -0.566  1.00  0.00           H  
HETATM   73  H   UNL     1       6.971   4.100  -0.812  1.00  0.00           H  
HETATM   74  H   UNL     1       8.094   3.820  -2.163  1.00  0.00           H  
HETATM   75  H   UNL     1       6.721   2.718  -1.906  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.017   1.911  -1.530  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.267   2.629   0.167  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.450   2.075  -1.042  1.00  0.00           H  
HETATM   79  H   UNL     1      -8.542   0.659   0.675  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.359   1.213   1.884  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.125   3.549   1.562  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.307   2.995   0.353  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.274   3.166   2.530  1.00  0.00           H  
HETATM   84  H   UNL     1       5.791   1.540  -0.790  1.00  0.00           H  
HETATM   85  H   UNL     1       8.081   1.165   1.191  1.00  0.00           H  
CONECT    1    5   36                                                 
CONECT    2   27   37                                                 
CONECT    3    4   12   30   38                                       
CONECT    4    5   31    3   39                                       
CONECT    5    6    4    1   40                                       
CONECT    6    5    7   41   42                                       
CONECT    7    6    8    8   12                                       
CONECT    8    7    7    9   43                                       
CONECT    9    8   10   10   44                                       
CONECT   10   11    9    9   16                                       
CONECT   11   13   10   45   46                                       
CONECT   12    7   21   21    3                                       
CONECT   13   11   14   47   48                                       
CONECT   14   13   15   49   50                                       
CONECT   15   14   20   16   19                                       
CONECT   16   10   15   17   51                                       
CONECT   17   16   18   52   53                                       
CONECT   18   19   17   54   55                                       
CONECT   19   15   22   18   56                                       
CONECT   20   15   57   58   59                                       
CONECT   21   12   12   60   61                                       
CONECT   22   19   24   23   62                                       
CONECT   23   22   63   64   65                                       
CONECT   24   25   22   66   67                                       
CONECT   25   26   24   68   84                                       
CONECT   26   27   25   69   85                                       
CONECT   27   28   29   26    2                                       
CONECT   28   27   70   71   72                                       
CONECT   29   27   73   74   75                                       
CONECT   30    3   76                                                 
CONECT   31   32    4                                                 
CONECT   32   33   31   77   78                                       
CONECT   33   32   34   79   80                                       
CONECT   34   33   35   81   82                                       
CONECT   35   34   83                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   20                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   22                                                      
CONECT   63   23                                                      
CONECT   64   23                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   26                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   29                                                      
CONECT   75   29                                                      
CONECT   76   30                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   25                                                      
CONECT   85   26                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
