COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.813   1.932  -0.009  1.00  0.00           C  
HETATM    2  C   UNL     1       3.753  -3.648   0.166  1.00  0.00           C  
HETATM    3  C   UNL     1       2.556  -3.768  -0.779  1.00  0.00           C  
HETATM    4  C   UNL     1       1.645  -4.904  -0.308  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.620  -4.091  -0.246  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.986  -3.888  -0.848  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.941  -2.069  -2.205  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.130   4.117   0.834  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.982   4.864   1.027  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.156   5.151  -0.043  1.00  0.00           C  
HETATM   11  C   UNL     1       1.090   5.972   0.165  1.00  0.00           C  
HETATM   12  C   UNL     1       2.893   4.379   0.206  1.00  0.00           C  
HETATM   13  C   UNL     1       4.056   3.659  -0.427  1.00  0.00           C  
HETATM   14  C   UNL     1       4.839   2.908   0.652  1.00  0.00           C  
HETATM   15  C   UNL     1       5.536  -0.465  -0.126  1.00  0.00           C  
HETATM   16  C   UNL     1       5.429  -1.827   0.509  1.00  0.00           C  
HETATM   17  C   UNL     1       5.056  -1.988   2.935  1.00  0.00           C  
HETATM   18  C   UNL     1       4.850  -2.818  -0.503  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.845  -3.302  -2.255  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.922  -1.395  -3.578  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.018  -0.161  -3.529  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.238  -1.836  -0.602  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.015  -0.840   0.221  1.00  0.00           C  
HETATM   24  C   UNL     1      -5.410  -1.396   0.515  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.152  -0.441   1.452  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.547  -0.997   1.746  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.288  -0.042   2.684  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.591   1.525   0.050  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.706   2.855  -0.648  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.450   3.658  -0.430  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.620   3.941  -1.499  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.474   4.687  -1.306  1.00  0.00           C  
HETATM   33  N   UNL     1       2.216   5.309  -0.530  1.00  0.00           N  
HETATM   34  N   UNL     1       5.714   0.625   0.670  1.00  0.00           N  
HETATM   35  N   UNL     1       4.550  -1.753   1.678  1.00  0.00           N  
HETATM   36  N   UNL     1       4.230  -1.919   4.032  1.00  0.00           N  
HETATM   37  N   UNL     1       6.318  -2.277   3.086  1.00  0.00           N  
HETATM   38  N   UNL     1       0.328  -4.757  -0.968  1.00  0.00           N  
HETATM   39  N   UNL     1       0.001   0.486  -4.847  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.747  -2.952   0.004  1.00  0.00           N  
HETATM   41  N   UNL     1      -9.628  -0.575   2.966  1.00  0.00           N  
HETATM   42  N   UNL     1      -4.135   0.421  -0.544  1.00  0.00           N  
HETATM   43  O   UNL     1       2.564   4.136   1.347  1.00  0.00           O  
HETATM   44  O   UNL     1       5.465  -0.341  -1.331  1.00  0.00           O  
HETATM   45  O   UNL     1      -0.366  -3.669   0.862  1.00  0.00           O  
HETATM   46  O   UNL     1      -3.053  -1.645  -1.785  1.00  0.00           O  
HETATM   47  O   UNL     1      -3.026   1.436   1.120  1.00  0.00           O  
HETATM   48  H   UNL     1       5.556   1.816  -1.062  1.00  0.00           H  
HETATM   49  H   UNL     1       6.831   2.313   0.079  1.00  0.00           H  
HETATM   50  H   UNL     1       3.440  -3.160   1.089  1.00  0.00           H  
HETATM   51  H   UNL     1       4.138  -4.642   0.393  1.00  0.00           H  
HETATM   52  H   UNL     1       1.998  -2.832  -0.778  1.00  0.00           H  
HETATM   53  H   UNL     1       2.909  -3.980  -1.788  1.00  0.00           H  
HETATM   54  H   UNL     1       2.086  -5.863  -0.581  1.00  0.00           H  
HETATM   55  H   UNL     1       1.521  -4.850   0.773  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.509  -4.843  -0.899  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.322  -1.368  -1.462  1.00  0.00           H  
HETATM   58  H   UNL     1       0.071  -2.370  -1.934  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.775   3.892   1.670  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.731   5.222   2.015  1.00  0.00           H  
HETATM   61  H   UNL     1       0.944   6.971  -0.246  1.00  0.00           H  
HETATM   62  H   UNL     1       1.308   6.042   1.231  1.00  0.00           H  
HETATM   63  H   UNL     1       3.685   2.949  -1.166  1.00  0.00           H  
HETATM   64  H   UNL     1       4.710   4.382  -0.913  1.00  0.00           H  
HETATM   65  H   UNL     1       4.145   2.355   1.286  1.00  0.00           H  
HETATM   66  H   UNL     1       5.396   3.622   1.259  1.00  0.00           H  
HETATM   67  H   UNL     1       6.419  -2.162   0.820  1.00  0.00           H  
HETATM   68  H   UNL     1       5.641  -3.478  -0.858  1.00  0.00           H  
HETATM   69  H   UNL     1       4.428  -2.270  -1.346  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.405  -4.048  -2.916  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.828  -3.017  -2.630  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.540  -2.095  -4.321  1.00  0.00           H  
HETATM   73  H   UNL     1      -1.934  -1.093  -3.849  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.399   0.539  -2.786  1.00  0.00           H  
HETATM   75  H   UNL     1       0.994  -0.463  -3.258  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.490  -0.651   1.157  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.965  -1.495  -0.418  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.319  -2.373   0.989  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.596  -0.342   2.385  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.242   0.536   0.978  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.102  -1.095   0.814  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.456  -1.974   2.220  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.733   0.057   3.616  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.379   0.936   2.209  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.851   2.691  -1.716  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.559   3.402  -0.246  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.868   3.578  -2.486  1.00  0.00           H  
HETATM   88  H   UNL     1       0.174   4.909  -2.142  1.00  0.00           H  
HETATM   89  H   UNL     1       2.457   5.521  -1.445  1.00  0.00           H  
HETATM   90  H   UNL     1       5.774   0.546   1.635  1.00  0.00           H  
HETATM   91  H   UNL     1       3.611  -1.538   1.566  1.00  0.00           H  
HETATM   92  H   UNL     1       3.291  -1.703   3.920  1.00  0.00           H  
HETATM   93  H   UNL     1       4.587  -2.085   4.919  1.00  0.00           H  
HETATM   94  H   UNL     1       6.674  -2.443   3.973  1.00  0.00           H  
HETATM   95  H   UNL     1       0.150  -5.110  -1.854  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.934   0.717  -5.150  1.00  0.00           H  
HETATM   97  H   UNL     1       0.591   1.304  -4.841  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.889  -3.124   0.947  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.138   0.038   3.584  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.140  -0.737   2.112  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.570   0.461  -1.410  1.00  0.00           H  
CONECT    1   14   34   48   49                                       
CONECT    2   18    3   50   51                                       
CONECT    3    2    4   52   53                                       
CONECT    4    3   38   54   55                                       
CONECT    5   38   45   45    6                                       
CONECT    6    5   40   19   56                                       
CONECT    7   19   20   57   58                                       
CONECT    8    9   30   30   59                                       
CONECT    9   10   10    8   60                                       
CONECT   10   11    9    9   32                                       
CONECT   11   33   10   61   62                                       
CONECT   12   13   43   43   33                                       
CONECT   13   14   12   63   64                                       
CONECT   14   13    1   65   66                                       
CONECT   15   34   16   44   44                                       
CONECT   16   15   18   35   67                                       
CONECT   17   37   37   35   36                                       
CONECT   18   16    2   68   69                                       
CONECT   19    6    7   70   71                                       
CONECT   20    7   21   72   73                                       
CONECT   21   20   39   74   75                                       
CONECT   22   46   46   23   40                                       
CONECT   23   22   42   24   76                                       
CONECT   24   23   25   77   78                                       
CONECT   25   24   26   79   80                                       
CONECT   26   25   27   81   82                                       
CONECT   27   26   41   83   84                                       
CONECT   28   47   47   29   42                                       
CONECT   29   30   28   85   86                                       
CONECT   30    8    8   31   29                                       
CONECT   31   32   32   30   87                                       
CONECT   32   10   31   31   88                                       
CONECT   33   12   11   89                                            
CONECT   34    1   15   90                                            
CONECT   35   16   17   91                                            
CONECT   36   17   92   93                                            
CONECT   37   17   17   94                                            
CONECT   38    4    5   95                                            
CONECT   39   21   96   97                                            
CONECT   40   22    6   98                                            
CONECT   41   27   99  100                                            
CONECT   42   28   23  101                                            
CONECT   43   12   12                                                 
CONECT   44   15   15                                                 
CONECT   45    5    5                                                 
CONECT   46   22   22                                                 
CONECT   47   28   28                                                 
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    4                                                      
CONECT   55    4                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    9                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   13                                                      
CONECT   64   13                                                      
CONECT   65   14                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   20                                                      
CONECT   73   20                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   23                                                      
CONECT   77   24                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   25                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   31                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   38                                                      
CONECT   96   39                                                      
CONECT   97   39                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
