COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.875   0.469   2.109  1.00  0.00           O  
HETATM    2  C   UNL     1       2.472   0.508   0.965  1.00  0.00           C  
HETATM    3  C   UNL     1       3.082  -0.389  -0.080  1.00  0.00           C  
HETATM    4  C   UNL     1       4.180  -1.243   0.559  1.00  0.00           C  
HETATM    5  C   UNL     1       4.800  -2.154  -0.503  1.00  0.00           C  
HETATM    6  C   UNL     1       5.897  -3.007   0.136  1.00  0.00           C  
HETATM    7  C   UNL     1       6.517  -3.919  -0.925  1.00  0.00           C  
HETATM    8  C   UNL     1       7.614  -4.772  -0.287  1.00  0.00           C  
HETATM    9  C   UNL     1       8.234  -5.683  -1.348  1.00  0.00           C  
HETATM   10  C   UNL     1       9.315  -6.524  -0.719  1.00  0.00           C  
HETATM   11  C   UNL     1       9.004  -7.756  -0.175  1.00  0.00           C  
HETATM   12  C   UNL     1       9.995  -8.528   0.402  1.00  0.00           C  
HETATM   13  C   UNL     1      11.298  -8.067   0.434  1.00  0.00           C  
HETATM   14  C   UNL     1      11.610  -6.835  -0.110  1.00  0.00           C  
HETATM   15  C   UNL     1      10.619  -6.066  -0.691  1.00  0.00           C  
HETATM   16  N   UNL     1       1.474   1.351   0.631  1.00  0.00           N  
HETATM   17  C   UNL     1       0.877   2.219   1.649  1.00  0.00           C  
HETATM   18  C   UNL     1       1.711   3.494   1.785  1.00  0.00           C  
HETATM   19  O   UNL     1       1.655   4.233   0.562  1.00  0.00           O  
HETATM   20  C   UNL     1       2.405   5.449   0.583  1.00  0.00           C  
HETATM   21  C   UNL     1       2.078   6.271  -0.666  1.00  0.00           C  
HETATM   22  O   UNL     1       0.673   6.525  -0.717  1.00  0.00           O  
HETATM   23  C   UNL     1       2.501   5.485  -1.911  1.00  0.00           C  
HETATM   24  O   UNL     1       2.268   6.276  -3.078  1.00  0.00           O  
HETATM   25  C   UNL     1       3.993   5.152  -1.808  1.00  0.00           C  
HETATM   26  O   UNL     1       4.753   6.362  -1.793  1.00  0.00           O  
HETATM   27  C   UNL     1       4.246   4.372  -0.515  1.00  0.00           C  
HETATM   28  C   UNL     1       5.742   4.088  -0.375  1.00  0.00           C  
HETATM   29  O   UNL     1       5.965   3.262   0.770  1.00  0.00           O  
HETATM   30  O   UNL     1       3.802   5.147   0.601  1.00  0.00           O  
HETATM   31  C   UNL     1      -0.550   2.584   1.233  1.00  0.00           C  
HETATM   32  O   UNL     1      -1.087   3.532   2.158  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.419   1.325   1.231  1.00  0.00           C  
HETATM   34  O   UNL     1      -0.881   0.377   0.306  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.845   1.690   0.815  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.742   0.456   0.932  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.169   0.821   0.517  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.066  -0.413   0.634  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.492  -0.047   0.219  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.389  -1.281   0.336  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.816  -0.916  -0.079  1.00  0.00           C  
HETATM   42  C   UNL     1     -10.713  -2.150   0.038  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.139  -1.785  -0.377  1.00  0.00           C  
HETATM   44  C   UNL     1     -13.036  -3.019  -0.260  1.00  0.00           C  
HETATM   45  C   UNL     1     -14.463  -2.653  -0.675  1.00  0.00           C  
HETATM   46  C   UNL     1     -15.360  -3.887  -0.558  1.00  0.00           C  
HETATM   47  C   UNL     1     -16.787  -3.522  -0.974  1.00  0.00           C  
HETATM   48  C   UNL     1     -17.684  -4.756  -0.857  1.00  0.00           C  
HETATM   49  H   UNL     1       2.312  -1.039  -0.496  1.00  0.00           H  
HETATM   50  H   UNL     1       3.512   0.220  -0.875  1.00  0.00           H  
HETATM   51  H   UNL     1       4.950  -0.593   0.974  1.00  0.00           H  
HETATM   52  H   UNL     1       3.750  -1.852   1.354  1.00  0.00           H  
HETATM   53  H   UNL     1       4.030  -2.804  -0.919  1.00  0.00           H  
HETATM   54  H   UNL     1       5.230  -1.545  -1.298  1.00  0.00           H  
HETATM   55  H   UNL     1       6.667  -2.358   0.552  1.00  0.00           H  
HETATM   56  H   UNL     1       5.467  -3.616   0.931  1.00  0.00           H  
HETATM   57  H   UNL     1       5.747  -4.568  -1.341  1.00  0.00           H  
HETATM   58  H   UNL     1       6.947  -3.310  -1.721  1.00  0.00           H  
HETATM   59  H   UNL     1       8.384  -4.122   0.129  1.00  0.00           H  
HETATM   60  H   UNL     1       7.185  -5.381   0.508  1.00  0.00           H  
HETATM   61  H   UNL     1       7.464  -6.333  -1.764  1.00  0.00           H  
HETATM   62  H   UNL     1       8.664  -5.075  -2.144  1.00  0.00           H  
HETATM   63  H   UNL     1       7.986  -8.116  -0.201  1.00  0.00           H  
HETATM   64  H   UNL     1       9.752  -9.490   0.827  1.00  0.00           H  
HETATM   65  H   UNL     1      12.073  -8.669   0.886  1.00  0.00           H  
HETATM   66  H   UNL     1      12.628  -6.475  -0.084  1.00  0.00           H  
HETATM   67  H   UNL     1      10.863  -5.105  -1.120  1.00  0.00           H  
HETATM   68  H   UNL     1       1.152   1.382  -0.283  1.00  0.00           H  
HETATM   69  H   UNL     1       0.854   1.696   2.605  1.00  0.00           H  
HETATM   70  H   UNL     1       1.312   4.104   2.596  1.00  0.00           H  
HETATM   71  H   UNL     1       2.745   3.230   2.003  1.00  0.00           H  
HETATM   72  H   UNL     1       2.145   6.021   1.473  1.00  0.00           H  
HETATM   73  H   UNL     1       2.618   7.218  -0.631  1.00  0.00           H  
HETATM   74  H   UNL     1       0.334   7.016   0.045  1.00  0.00           H  
HETATM   75  H   UNL     1       1.924   4.563  -1.974  1.00  0.00           H  
HETATM   76  H   UNL     1       1.343   6.530  -3.202  1.00  0.00           H  
HETATM   77  H   UNL     1       4.291   4.546  -2.664  1.00  0.00           H  
HETATM   78  H   UNL     1       4.637   6.909  -2.581  1.00  0.00           H  
HETATM   79  H   UNL     1       3.698   3.431  -0.545  1.00  0.00           H  
HETATM   80  H   UNL     1       6.100   3.575  -1.268  1.00  0.00           H  
HETATM   81  H   UNL     1       6.281   5.028  -0.255  1.00  0.00           H  
HETATM   82  H   UNL     1       6.894   3.040   0.920  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.537   3.019   0.234  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.059   3.241   3.080  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.431   0.890   2.230  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.840   0.698  -0.606  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.223   2.477   1.468  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.844   2.042  -0.216  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.364  -0.331   0.280  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.743   0.104   1.964  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.547   1.609   1.169  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.168   1.173  -0.514  1.00  0.00           H  
HETATM   93  H   UNL     1      -5.688  -1.200  -0.018  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.067  -0.765   1.666  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.870   0.740   0.871  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.492   0.305  -0.812  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.011  -2.068  -0.316  1.00  0.00           H  
HETATM   98  H   UNL     1      -8.390  -1.633   1.368  1.00  0.00           H  
HETATM   99  H   UNL     1     -10.194  -0.129   0.573  1.00  0.00           H  
HETATM  100  H   UNL     1      -9.815  -0.564  -1.111  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.335  -2.937  -0.614  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.714  -2.502   1.069  1.00  0.00           H  
HETATM  103  H   UNL     1     -12.517  -0.997   0.275  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.139  -1.433  -1.409  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.658  -3.806  -0.913  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.037  -3.371   0.771  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.841  -1.866  -0.023  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.462  -2.301  -1.707  1.00  0.00           H  
HETATM  109  H   UNL     1     -14.982  -4.674  -1.211  1.00  0.00           H  
HETATM  110  H   UNL     1     -15.361  -4.239   0.473  1.00  0.00           H  
HETATM  111  H   UNL     1     -17.165  -2.735  -0.321  1.00  0.00           H  
HETATM  112  H   UNL     1     -16.786  -3.170  -2.005  1.00  0.00           H  
HETATM  113  H   UNL     1     -18.700  -4.496  -1.152  1.00  0.00           H  
HETATM  114  H   UNL     1     -17.306  -5.543  -1.509  1.00  0.00           H  
HETATM  115  H   UNL     1     -17.684  -5.108   0.175  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   16                                       
CONECT    3    2    4   49   50                                       
CONECT    4    3    5   51   52                                       
CONECT    5    4    6   53   54                                       
CONECT    6    5    7   55   56                                       
CONECT    7    6    8   57   58                                       
CONECT    8    7    9   59   60                                       
CONECT    9    8   10   61   62                                       
CONECT   10    9   11   11   15                                       
CONECT   11   10   10   12   63                                       
CONECT   12   11   13   13   64                                       
CONECT   13   12   12   14   65                                       
CONECT   14   13   15   15   66                                       
CONECT   15   10   14   14   67                                       
CONECT   16    2   17   68                                            
CONECT   17   16   18   31   69                                       
CONECT   18   17   19   70   71                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   30   72                                       
CONECT   21   20   22   23   73                                       
CONECT   22   21   74                                                 
CONECT   23   21   24   25   75                                       
CONECT   24   23   76                                                 
CONECT   25   23   26   27   77                                       
CONECT   26   25   78                                                 
CONECT   27   25   28   30   79                                       
CONECT   28   27   29   80   81                                       
CONECT   29   28   82                                                 
CONECT   30   20   27                                                 
CONECT   31   17   32   33   83                                       
CONECT   32   31   84                                                 
CONECT   33   31   34   35   85                                       
CONECT   34   33   86                                                 
CONECT   35   33   36   87   88                                       
CONECT   36   35   37   89   90                                       
CONECT   37   36   38   91   92                                       
CONECT   38   37   39   93   94                                       
CONECT   39   38   40   95   96                                       
CONECT   40   39   41   97   98                                       
CONECT   41   40   42   99  100                                       
CONECT   42   41   43  101  102                                       
CONECT   43   42   44  103  104                                       
CONECT   44   43   45  105  106                                       
CONECT   45   44   46  107  108                                       
CONECT   46   45   47  109  110                                       
CONECT   47   46   48  111  112                                       
CONECT   48   47  113  114  115                                       
CONECT   49    3                                                      
CONECT   50    3                                                      
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    5                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   17                                                      
CONECT   70   18                                                      
CONECT   71   18                                                      
CONECT   72   20                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   23                                                      
CONECT   76   24                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   35                                                      
CONECT   89   36                                                      
CONECT   90   36                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   38                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   43                                                      
CONECT  104   43                                                      
CONECT  105   44                                                      
CONECT  106   44                                                      
CONECT  107   45                                                      
CONECT  108   45                                                      
CONECT  109   46                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   47                                                      
CONECT  113   48                                                      
CONECT  114   48                                                      
CONECT  115   48                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
