COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -11.428  -0.257   0.075  1.00  0.00           C  
HETATM    2  C   UNL     1     -12.339  -2.158  -1.219  1.00  0.00           C  
HETATM    3  C   UNL     1     -13.022   1.368   1.088  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.763   1.268  -0.247  1.00  0.00           C  
HETATM    5  O   UNL     1     -15.098   1.752  -0.091  1.00  0.00           O  
HETATM    6  C   UNL     1     -13.796  -0.204  -0.677  1.00  0.00           C  
HETATM    7  C   UNL     1     -12.372  -0.640  -1.027  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.714   0.635   1.009  1.00  0.00           C  
HETATM    9  C   UNL     1     -10.669   0.931   2.053  1.00  0.00           C  
HETATM   10  C   UNL     1     -11.940   0.044  -2.326  1.00  0.00           C  
HETATM   11  O   UNL     1      15.089  -1.762  -0.173  1.00  0.00           O  
HETATM   12  C   UNL     1      11.431   0.257   0.096  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.160  -0.890   0.121  1.00  0.00           C  
HETATM   14  C   UNL     1      -9.026  -0.141   0.108  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.769  -0.770   0.129  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.679  -2.274   0.164  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.629  -0.018   0.117  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.376  -0.645   0.137  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.227   0.113   0.125  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.975  -0.513   0.145  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.885  -2.017   0.181  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.824   0.246   0.133  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.573  -0.379   0.153  1.00  0.00           C  
HETATM   24  C   UNL     1       0.578   0.380   0.141  1.00  0.00           C  
HETATM   25  C   UNL     1       1.829  -0.246   0.161  1.00  0.00           C  
HETATM   26  C   UNL     1       2.979   0.513   0.149  1.00  0.00           C  
HETATM   27  C   UNL     1       2.889   2.017   0.113  1.00  0.00           C  
HETATM   28  C   UNL     1       4.231  -0.112   0.169  1.00  0.00           C  
HETATM   29  C   UNL     1       5.380   0.646   0.157  1.00  0.00           C  
HETATM   30  C   UNL     1       6.634   0.019   0.177  1.00  0.00           C  
HETATM   31  C   UNL     1       7.773   0.771   0.165  1.00  0.00           C  
HETATM   32  C   UNL     1       7.683   2.275   0.129  1.00  0.00           C  
HETATM   33  C   UNL     1       9.030   0.142   0.185  1.00  0.00           C  
HETATM   34  C   UNL     1      10.165   0.891   0.173  1.00  0.00           C  
HETATM   35  C   UNL     1      12.348   0.644  -1.028  1.00  0.00           C  
HETATM   36  C   UNL     1      11.880  -0.030  -2.319  1.00  0.00           C  
HETATM   37  C   UNL     1      12.318   2.163  -1.208  1.00  0.00           C  
HETATM   38  C   UNL     1      13.779   0.201  -0.715  1.00  0.00           C  
HETATM   39  C   UNL     1      13.752  -1.273  -0.292  1.00  0.00           C  
HETATM   40  C   UNL     1      13.044  -1.377   1.061  1.00  0.00           C  
HETATM   41  C   UNL     1      11.739  -0.636   1.021  1.00  0.00           C  
HETATM   42  C   UNL     1      10.721  -0.931   2.092  1.00  0.00           C  
HETATM   43  H   UNL     1     -12.673  -2.647  -0.303  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.999  -2.435  -2.040  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.321  -2.473  -1.448  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.835   2.416   1.320  1.00  0.00           H  
HETATM   47  H   UNL     1     -13.635   0.928   1.874  1.00  0.00           H  
HETATM   48  H   UNL     1     -13.241   1.858  -1.000  1.00  0.00           H  
HETATM   49  H   UNL     1     -15.151   2.674   0.194  1.00  0.00           H  
HETATM   50  H   UNL     1     -14.175  -0.816   0.141  1.00  0.00           H  
HETATM   51  H   UNL     1     -14.441  -0.317  -1.548  1.00  0.00           H  
HETATM   52  H   UNL     1      -9.977   1.683   1.672  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.152   1.307   2.955  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.120   0.019   2.288  1.00  0.00           H  
HETATM   55  H   UNL     1     -10.930  -0.272  -2.585  1.00  0.00           H  
HETATM   56  H   UNL     1     -12.624  -0.233  -3.128  1.00  0.00           H  
HETATM   57  H   UNL     1     -11.958   1.126  -2.190  1.00  0.00           H  
HETATM   58  H   UNL     1      15.146  -2.691   0.093  1.00  0.00           H  
HETATM   59  H   UNL     1     -10.096  -1.967   0.165  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.090   0.936   0.083  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.653  -2.661  -0.854  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.772  -2.572   0.690  1.00  0.00           H  
HETATM   63  H   UNL     1      -8.548  -2.678   0.684  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.694   1.059   0.091  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.312  -1.723   0.163  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.291   1.191   0.099  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.859  -2.403  -0.838  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.977  -2.314   0.706  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.754  -2.420   0.700  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.889   1.324   0.107  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.509  -1.457   0.179  1.00  0.00           H  
HETATM   72  H   UNL     1       0.513   1.458   0.115  1.00  0.00           H  
HETATM   73  H   UNL     1       1.893  -1.324   0.187  1.00  0.00           H  
HETATM   74  H   UNL     1       2.863   2.404   1.132  1.00  0.00           H  
HETATM   75  H   UNL     1       3.759   2.421  -0.406  1.00  0.00           H  
HETATM   76  H   UNL     1       1.982   2.315  -0.412  1.00  0.00           H  
HETATM   77  H   UNL     1       4.295  -1.190   0.195  1.00  0.00           H  
HETATM   78  H   UNL     1       5.316   1.724   0.131  1.00  0.00           H  
HETATM   79  H   UNL     1       6.698  -1.059   0.203  1.00  0.00           H  
HETATM   80  H   UNL     1       7.657   2.661   1.148  1.00  0.00           H  
HETATM   81  H   UNL     1       8.552   2.678  -0.390  1.00  0.00           H  
HETATM   82  H   UNL     1       6.776   2.572  -0.396  1.00  0.00           H  
HETATM   83  H   UNL     1       9.094  -0.936   0.211  1.00  0.00           H  
HETATM   84  H   UNL     1      10.102   1.968   0.222  1.00  0.00           H  
HETATM   85  H   UNL     1      10.865   0.293  -2.550  1.00  0.00           H  
HETATM   86  H   UNL     1      12.545   0.249  -3.136  1.00  0.00           H  
HETATM   87  H   UNL     1      11.896  -1.112  -2.191  1.00  0.00           H  
HETATM   88  H   UNL     1      12.678   2.644  -0.299  1.00  0.00           H  
HETATM   89  H   UNL     1      12.958   2.442  -2.045  1.00  0.00           H  
HETATM   90  H   UNL     1      11.296   2.484  -1.409  1.00  0.00           H  
HETATM   91  H   UNL     1      14.400   0.316  -1.603  1.00  0.00           H  
HETATM   92  H   UNL     1      14.181   0.808   0.097  1.00  0.00           H  
HETATM   93  H   UNL     1      13.210  -1.857  -1.035  1.00  0.00           H  
HETATM   94  H   UNL     1      12.859  -2.426   1.291  1.00  0.00           H  
HETATM   95  H   UNL     1      13.678  -0.945   1.835  1.00  0.00           H  
HETATM   96  H   UNL     1      10.016  -1.679   1.728  1.00  0.00           H  
HETATM   97  H   UNL     1      11.227  -1.310   2.980  1.00  0.00           H  
HETATM   98  H   UNL     1      10.183  -0.017   2.343  1.00  0.00           H  
CONECT    1   13    7    8    8                                       
CONECT    2    7   43   44   45                                       
CONECT    3    4    8   46   47                                       
CONECT    4    3    6    5   48                                       
CONECT    5    4   49                                                 
CONECT    6    7    4   50   51                                       
CONECT    7   10    1    2    6                                       
CONECT    8    1    1    9    3                                       
CONECT    9    8   52   53   54                                       
CONECT   10    7   55   56   57                                       
CONECT   11   39   58                                                 
CONECT   12   35   34   41   41                                       
CONECT   13   14   14    1   59                                       
CONECT   14   15   13   13   60                                       
CONECT   15   17   17   14   16                                       
CONECT   16   15   61   62   63                                       
CONECT   17   18   15   15   64                                       
CONECT   18   19   19   17   65                                       
CONECT   19   20   18   18   66                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   67   68   69                                       
CONECT   22   23   20   20   70                                       
CONECT   23   24   24   22   71                                       
CONECT   24   25   23   23   72                                       
CONECT   25   24   26   26   73                                       
CONECT   26   28   25   25   27                                       
CONECT   27   26   74   75   76                                       
CONECT   28   26   29   29   77                                       
CONECT   29   28   28   30   78                                       
CONECT   30   31   31   29   79                                       
CONECT   31   33   30   30   32                                       
CONECT   32   31   80   81   82                                       
CONECT   33   34   34   31   83                                       
CONECT   34   12   33   33   84                                       
CONECT   35   36   37   38   12                                       
CONECT   36   35   85   86   87                                       
CONECT   37   35   88   89   90                                       
CONECT   38   35   39   91   92                                       
CONECT   39   38   40   11   93                                       
CONECT   40   39   41   94   95                                       
CONECT   41   12   12   40   42                                       
CONECT   42   41   96   97   98                                       
CONECT   43    2                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    3                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    6                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   13                                                      
CONECT   60   14                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   28                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   37                                                      
CONECT   89   37                                                      
CONECT   90   37                                                      
CONECT   91   38                                                      
CONECT   92   38                                                      
CONECT   93   39                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   42                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
