COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.498   3.966   0.926  1.00  0.00           C  
HETATM    2  C   UNL     1       0.310   4.687  -0.411  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.867   3.736   1.577  1.00  0.00           C  
HETATM    4  C   UNL     1       2.490   2.672   0.735  1.00  0.00           C  
HETATM    5  C   UNL     1       3.234   1.381   0.509  1.00  0.00           C  
HETATM    6  C   UNL     1       4.740   1.638   0.601  1.00  0.00           C  
HETATM    7  C   UNL     1       5.496   0.328   0.371  1.00  0.00           C  
HETATM    8  C   UNL     1       7.001   0.584   0.464  1.00  0.00           C  
HETATM    9  C   UNL     1       7.757  -0.726   0.234  1.00  0.00           C  
HETATM   10  C   UNL     1       9.263  -0.469   0.327  1.00  0.00           C  
HETATM   11  C   UNL     1      10.018  -1.780   0.097  1.00  0.00           C  
HETATM   12  C   UNL     1      11.524  -1.523   0.190  1.00  0.00           C  
HETATM   13  C   UNL     1      12.280  -2.833  -0.040  1.00  0.00           C  
HETATM   14  C   UNL     1      13.785  -2.576   0.052  1.00  0.00           C  
HETATM   15  C   UNL     1      14.541  -3.887  -0.177  1.00  0.00           C  
HETATM   16  C   UNL     1      16.046  -3.630  -0.085  1.00  0.00           C  
HETATM   17  C   UNL     1      16.802  -4.940  -0.314  1.00  0.00           C  
HETATM   18  C   UNL     1      18.308  -4.684  -0.222  1.00  0.00           C  
HETATM   19  C   UNL     1      19.064  -5.994  -0.451  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.941   2.661   1.104  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.847   1.823   0.240  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.201   1.656   0.933  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.122   0.805   0.055  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.476   0.638   0.748  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.396  -0.212  -0.130  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.750  -0.380   0.563  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.670  -1.230  -0.315  1.00  0.00           C  
HETATM   28  C   UNL     1     -12.024  -1.398   0.378  1.00  0.00           C  
HETATM   29  C   UNL     1     -12.945  -2.248  -0.500  1.00  0.00           C  
HETATM   30  C   UNL     1     -14.298  -2.415   0.193  1.00  0.00           C  
HETATM   31  C   UNL     1     -15.219  -3.266  -0.685  1.00  0.00           C  
HETATM   32  C   UNL     1     -16.573  -3.433   0.008  1.00  0.00           C  
HETATM   33  C   UNL     1     -17.493  -4.284  -0.869  1.00  0.00           C  
HETATM   34  C   UNL     1     -18.847  -4.451  -0.176  1.00  0.00           C  
HETATM   35  C   UNL     1     -19.767  -5.301  -1.054  1.00  0.00           C  
HETATM   36  O   UNL     1       3.101   3.692   0.948  1.00  0.00           O  
HETATM   37  O   UNL     1      -3.301   2.999   2.207  1.00  0.00           O  
HETATM   38  O   UNL     1       1.148   2.688   0.699  1.00  0.00           O  
HETATM   39  O   UNL     1      -1.733   3.030   0.649  1.00  0.00           O  
HETATM   40  O   UNL     1       1.589   5.003  -0.965  1.00  0.00           O  
HETATM   41  H   UNL     1       1.116   4.577   1.584  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.234   4.040  -1.099  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.254   5.605  -0.252  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.742   3.141   2.482  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.314   4.696   1.833  1.00  0.00           H  
HETATM   46  H   UNL     1       2.942   0.656   1.268  1.00  0.00           H  
HETATM   47  H   UNL     1       2.992   0.990  -0.480  1.00  0.00           H  
HETATM   48  H   UNL     1       5.032   2.364  -0.158  1.00  0.00           H  
HETATM   49  H   UNL     1       4.982   2.029   1.589  1.00  0.00           H  
HETATM   50  H   UNL     1       5.204  -0.398   1.131  1.00  0.00           H  
HETATM   51  H   UNL     1       5.254  -0.063  -0.617  1.00  0.00           H  
HETATM   52  H   UNL     1       7.293   1.310  -0.295  1.00  0.00           H  
HETATM   53  H   UNL     1       7.243   0.975   1.452  1.00  0.00           H  
HETATM   54  H   UNL     1       7.465  -1.452   0.993  1.00  0.00           H  
HETATM   55  H   UNL     1       7.515  -1.117  -0.754  1.00  0.00           H  
HETATM   56  H   UNL     1       9.555   0.256  -0.433  1.00  0.00           H  
HETATM   57  H   UNL     1       9.505  -0.079   1.315  1.00  0.00           H  
HETATM   58  H   UNL     1       9.726  -2.505   0.856  1.00  0.00           H  
HETATM   59  H   UNL     1       9.776  -2.170  -0.891  1.00  0.00           H  
HETATM   60  H   UNL     1      11.816  -0.797  -0.570  1.00  0.00           H  
HETATM   61  H   UNL     1      11.766  -1.132   1.178  1.00  0.00           H  
HETATM   62  H   UNL     1      11.988  -3.559   0.719  1.00  0.00           H  
HETATM   63  H   UNL     1      12.038  -3.224  -1.028  1.00  0.00           H  
HETATM   64  H   UNL     1      14.077  -1.851  -0.707  1.00  0.00           H  
HETATM   65  H   UNL     1      14.027  -2.186   1.041  1.00  0.00           H  
HETATM   66  H   UNL     1      14.249  -4.612   0.582  1.00  0.00           H  
HETATM   67  H   UNL     1      14.299  -4.278  -1.166  1.00  0.00           H  
HETATM   68  H   UNL     1      16.338  -2.905  -0.844  1.00  0.00           H  
HETATM   69  H   UNL     1      16.288  -3.239   0.904  1.00  0.00           H  
HETATM   70  H   UNL     1      16.510  -5.666   0.445  1.00  0.00           H  
HETATM   71  H   UNL     1      16.560  -5.331  -1.303  1.00  0.00           H  
HETATM   72  H   UNL     1      18.600  -3.958  -0.981  1.00  0.00           H  
HETATM   73  H   UNL     1      18.550  -4.293   0.766  1.00  0.00           H  
HETATM   74  H   UNL     1      18.822  -6.385  -1.440  1.00  0.00           H  
HETATM   75  H   UNL     1      20.136  -5.811  -0.386  1.00  0.00           H  
HETATM   76  H   UNL     1      18.772  -6.720   0.308  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.990   2.316  -0.722  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.396   0.843   0.082  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.059   1.163   1.894  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.652   2.635   1.090  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.264   1.298  -0.907  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.670  -0.174  -0.103  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.333   0.145   1.709  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.927   1.618   0.905  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.538   0.281  -1.092  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.945  -1.192  -0.287  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.607  -0.873   1.524  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.201   0.600   0.720  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.813  -0.737  -1.276  1.00  0.00           H  
HETATM   90  H   UNL     1     -10.219  -2.210  -0.472  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.882  -1.891   1.339  1.00  0.00           H  
HETATM   92  H   UNL     1     -12.475  -0.418   0.535  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.087  -1.755  -1.461  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.493  -3.228  -0.657  1.00  0.00           H  
HETATM   95  H   UNL     1     -14.156  -2.908   1.155  1.00  0.00           H  
HETATM   96  H   UNL     1     -14.750  -1.436   0.351  1.00  0.00           H  
HETATM   97  H   UNL     1     -15.361  -2.773  -1.646  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.768  -4.245  -0.842  1.00  0.00           H  
HETATM   99  H   UNL     1     -16.430  -3.926   0.970  1.00  0.00           H  
HETATM  100  H   UNL     1     -17.024  -2.454   0.166  1.00  0.00           H  
HETATM  101  H   UNL     1     -17.636  -3.790  -1.831  1.00  0.00           H  
HETATM  102  H   UNL     1     -17.042  -5.263  -1.027  1.00  0.00           H  
HETATM  103  H   UNL     1     -18.704  -4.944   0.785  1.00  0.00           H  
HETATM  104  H   UNL     1     -19.298  -3.471  -0.019  1.00  0.00           H  
HETATM  105  H   UNL     1     -19.910  -4.808  -2.016  1.00  0.00           H  
HETATM  106  H   UNL     1     -19.316  -6.281  -1.212  1.00  0.00           H  
HETATM  107  H   UNL     1     -20.732  -5.420  -0.561  1.00  0.00           H  
HETATM  108  C   UNL     1       1.527   5.778  -2.164  1.00  0.00           C  
HETATM  109  C   UNL     1       2.936   5.952  -2.733  1.00  0.00           C  
HETATM  110  N   UNL     1       3.462   4.645  -3.148  1.00  0.00           N  
HETATM  111  H   UNL     1       0.901   5.267  -2.896  1.00  0.00           H  
HETATM  112  H   UNL     1       1.101   6.757  -1.942  1.00  0.00           H  
HETATM  113  H   UNL     1       2.901   6.620  -3.593  1.00  0.00           H  
HETATM  114  H   UNL     1       3.586   6.379  -1.968  1.00  0.00           H  
HETATM  115  H   UNL     1       4.418   4.722  -3.460  1.00  0.00           H  
HETATM  116  H   UNL     1       3.378   3.969  -2.404  1.00  0.00           H  
CONECT    1    3   38    2   41                                       
CONECT    2    1   40   42   43                                       
CONECT    3   39    1   44   45                                       
CONECT    4    5   38   36   36                                       
CONECT    5    6    4   46   47                                       
CONECT    6    7    5   48   49                                       
CONECT    7    8    6   50   51                                       
CONECT    8    9    7   52   53                                       
CONECT    9    8   10   54   55                                       
CONECT   10    9   11   56   57                                       
CONECT   11   10   12   58   59                                       
CONECT   12   11   13   60   61                                       
CONECT   13   12   14   62   63                                       
CONECT   14   13   15   64   65                                       
CONECT   15   14   16   66   67                                       
CONECT   16   15   17   68   69                                       
CONECT   17   16   18   70   71                                       
CONECT   18   17   19   72   73                                       
CONECT   19   18   74   75   76                                       
CONECT   20   37   37   21   39                                       
CONECT   21   22   20   77   78                                       
CONECT   22   23   21   79   80                                       
CONECT   23   24   22   81   82                                       
CONECT   24   25   23   83   84                                       
CONECT   25   26   24   85   86                                       
CONECT   26   27   25   87   88                                       
CONECT   27   28   26   89   90                                       
CONECT   28   29   27   91   92                                       
CONECT   29   30   28   93   94                                       
CONECT   30   31   29   95   96                                       
CONECT   31   32   30   97   98                                       
CONECT   32   31   33   99  100                                       
CONECT   33   32   34  101  102                                       
CONECT   34   33   35  103  104                                       
CONECT   35   34  105  106  107                                       
CONECT   36    4    4                                                 
CONECT   37   20   20                                                 
CONECT   38    4    1                                                 
CONECT   39   20    3                                                 
CONECT   40    2  108                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    2                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    5                                                      
CONECT   47    5                                                      
CONECT   48    6                                                      
CONECT   49    6                                                      
CONECT   50    7                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   11                                                      
CONECT   59   11                                                      
CONECT   60   12                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   14                                                      
CONECT   65   14                                                      
CONECT   66   15                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   19                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   22                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   25                                                      
CONECT   87   26                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   27                                                      
CONECT   91   28                                                      
CONECT   92   28                                                      
CONECT   93   29                                                      
CONECT   94   29                                                      
CONECT   95   30                                                      
CONECT   96   30                                                      
CONECT   97   31                                                      
CONECT   98   31                                                      
CONECT   99   32                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   34                                                      
CONECT  104   34                                                      
CONECT  105   35                                                      
CONECT  106   35                                                      
CONECT  107   35                                                      
CONECT  108   40  109  111  112                                       
CONECT  109  108  110  113  114                                       
CONECT  110  109  115  116                                            
CONECT  111  108                                                      
CONECT  112  108                                                      
CONECT  113  109                                                      
CONECT  114  109                                                      
CONECT  115  110                                                      
CONECT  116  110                                                      
MASTER        0    0    0    0    0    0    0    0  116    0  116    0
END
