COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -8.462   2.389  -0.363  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.269   1.247   0.637  1.00  0.00           C  
HETATM    3  C   UNL     1      -9.497   0.360   0.644  1.00  0.00           C  
HETATM    4  O   UNL     1     -10.520   0.703   0.101  1.00  0.00           O  
HETATM    5  C   UNL     1      -9.396  -0.973   1.356  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.339  -0.747   2.869  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.112  -1.668   0.887  1.00  0.00           C  
HETATM    8  O   UNL     1      -8.241  -2.030  -0.489  1.00  0.00           O  
HETATM    9  O   UNL     1      -7.008  -0.774   1.045  1.00  0.00           O  
HETATM   10  C   UNL     1      -7.066   0.391   0.220  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.780   1.202   0.389  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.588   0.374  -0.097  1.00  0.00           C  
HETATM   13  O   UNL     1      -4.725   0.117  -1.520  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.819  -1.166  -1.901  1.00  0.00           C  
HETATM   15  O   UNL     1      -4.700  -2.049  -1.085  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.073  -1.506  -3.347  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.292   1.146   0.160  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.094   0.269  -0.210  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.799   1.041   0.047  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.726   2.244  -0.896  1.00  0.00           C  
HETATM   21  C   UNL     1       0.400   0.123  -0.204  1.00  0.00           C  
HETATM   22  C   UNL     1       1.690   0.855   0.172  1.00  0.00           C  
HETATM   23  C   UNL     1       2.888  -0.062  -0.079  1.00  0.00           C  
HETATM   24  O   UNL     1       2.821  -1.186   0.802  1.00  0.00           O  
HETATM   25  C   UNL     1       4.184   0.710   0.178  1.00  0.00           C  
HETATM   26  C   UNL     1       5.382  -0.167  -0.192  1.00  0.00           C  
HETATM   27  C   UNL     1       6.678   0.605   0.065  1.00  0.00           C  
HETATM   28  C   UNL     1       6.750   1.808  -0.878  1.00  0.00           C  
HETATM   29  C   UNL     1       7.876  -0.312  -0.186  1.00  0.00           C  
HETATM   30  C   UNL     1       9.166   0.419   0.190  1.00  0.00           C  
HETATM   31  N   UNL     1      10.314  -0.459  -0.050  1.00  0.00           N  
HETATM   32  C   UNL     1      11.562  -0.023   0.211  1.00  0.00           C  
HETATM   33  O   UNL     1      11.736   1.096   0.645  1.00  0.00           O  
HETATM   34  C   UNL     1      12.743  -0.927  -0.036  1.00  0.00           C  
HETATM   35  C   UNL     1      12.670  -2.130   0.907  1.00  0.00           C  
HETATM   36  O   UNL     1      13.953  -0.206   0.204  1.00  0.00           O  
HETATM   37  H   UNL     1      -9.331   2.980  -0.076  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.576   3.024  -0.365  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.615   1.977  -1.360  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.103   1.654   1.634  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.260  -1.589   1.109  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.243  -0.232   3.194  1.00  0.00           H  
HETATM   43  H   UNL     1      -9.266  -1.709   3.377  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.467  -0.140   3.112  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.943  -2.563   1.485  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.471  -2.494  -0.847  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.175   0.093  -0.823  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.848   2.118  -0.197  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.643   1.452   1.441  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.560  -0.573   0.442  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.151  -0.587  -3.928  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.249  -2.109  -3.729  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.003  -2.068  -3.430  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.282   2.050  -0.448  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.233   1.416   1.214  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.105  -0.636   0.398  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.153  -0.001  -1.265  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.781   1.388   1.080  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.580   2.897  -0.717  1.00  0.00           H  
HETATM   60  H   UNL     1       0.197   2.794  -0.713  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.744   1.897  -1.929  1.00  0.00           H  
HETATM   62  H   UNL     1       0.302  -0.776   0.403  1.00  0.00           H  
HETATM   63  H   UNL     1       0.433  -0.152  -1.258  1.00  0.00           H  
HETATM   64  H   UNL     1       1.788   1.755  -0.436  1.00  0.00           H  
HETATM   65  H   UNL     1       1.658   1.131   1.226  1.00  0.00           H  
HETATM   66  H   UNL     1       2.871  -0.409  -1.112  1.00  0.00           H  
HETATM   67  H   UNL     1       2.832  -0.951   1.740  1.00  0.00           H  
HETATM   68  H   UNL     1       4.195   1.615  -0.430  1.00  0.00           H  
HETATM   69  H   UNL     1       4.243   0.980   1.232  1.00  0.00           H  
HETATM   70  H   UNL     1       5.372  -1.072   0.416  1.00  0.00           H  
HETATM   71  H   UNL     1       5.323  -0.437  -1.247  1.00  0.00           H  
HETATM   72  H   UNL     1       6.696   0.952   1.098  1.00  0.00           H  
HETATM   73  H   UNL     1       6.733   1.461  -1.911  1.00  0.00           H  
HETATM   74  H   UNL     1       5.897   2.461  -0.699  1.00  0.00           H  
HETATM   75  H   UNL     1       7.673   2.358  -0.695  1.00  0.00           H  
HETATM   76  H   UNL     1       7.779  -1.212   0.422  1.00  0.00           H  
HETATM   77  H   UNL     1       7.909  -0.588  -1.240  1.00  0.00           H  
HETATM   78  H   UNL     1       9.264   1.319  -0.418  1.00  0.00           H  
HETATM   79  H   UNL     1      12.725  -1.274  -1.069  1.00  0.00           H  
HETATM   80  H   UNL     1      12.688  -1.783   1.940  1.00  0.00           H  
HETATM   81  H   UNL     1      11.747  -2.680   0.724  1.00  0.00           H  
HETATM   82  H   UNL     1      13.524  -2.783   0.728  1.00  0.00           H  
HETATM   83  H   UNL     1      14.755  -0.727   0.064  1.00  0.00           H  
HETATM   84  H   UNL     1       9.134   0.695   1.244  1.00  0.00           H  
HETATM   85  H   UNL     1      10.175  -1.354  -0.397  1.00  0.00           H  
CONECT    1    2   37   38   39                                       
CONECT    2   10    1    3   40                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    7    3    6   41                                       
CONECT    6    5   42   43   44                                       
CONECT    7    9    8    5   45                                       
CONECT    8    7   46                                                 
CONECT    9    7   10                                                 
CONECT   10    9   11    2   47                                       
CONECT   11   12   10   48   49                                       
CONECT   12   13   11   17   50                                       
CONECT   13   14   12                                                 
CONECT   14   15   15   16   13                                       
CONECT   15   14   14                                                 
CONECT   16   14   51   52   53                                       
CONECT   17   12   18   54   55                                       
CONECT   18   17   19   56   57                                       
CONECT   19   20   18   21   58                                       
CONECT   20   19   59   60   61                                       
CONECT   21   19   22   62   63                                       
CONECT   22   23   21   64   65                                       
CONECT   23   24   25   22   66                                       
CONECT   24   23   67                                                 
CONECT   25   23   26   68   69                                       
CONECT   26   25   27   70   71                                       
CONECT   27   26   29   28   72                                       
CONECT   28   27   73   74   75                                       
CONECT   29   27   30   76   77                                       
CONECT   30   29   31   78   84                                       
CONECT   31   30   32   85                                            
CONECT   32   31   34   33   33                                       
CONECT   33   32   32                                                 
CONECT   34   35   32   36   79                                       
CONECT   35   34   80   81   82                                       
CONECT   36   34   83                                                 
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   16                                                      
CONECT   54   17                                                      
CONECT   55   17                                                      
CONECT   56   18                                                      
CONECT   57   18                                                      
CONECT   58   19                                                      
CONECT   59   20                                                      
CONECT   60   20                                                      
CONECT   61   20                                                      
CONECT   62   21                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   24                                                      
CONECT   68   25                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   34                                                      
CONECT   80   35                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
