COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -20.256  -1.800   0.247  1.00  0.00           N  
HETATM    2  C   UNL     1     -19.508  -1.710   1.332  1.00  0.00           C  
HETATM    3  N   UNL     1     -18.242  -1.353   1.290  1.00  0.00           N  
HETATM    4  C   UNL     1     -17.657  -1.065   0.132  1.00  0.00           C  
HETATM    5  C   UNL     1     -18.411  -1.146  -1.052  1.00  0.00           C  
HETATM    6  C   UNL     1     -19.758  -1.531  -0.956  1.00  0.00           C  
HETATM    7  N   UNL     1     -20.549  -1.629  -2.087  1.00  0.00           N  
HETATM    8  N   UNL     1     -17.588  -0.806  -2.073  1.00  0.00           N  
HETATM    9  C   UNL     1     -16.406  -0.528  -1.603  1.00  0.00           C  
HETATM   10  N   UNL     1     -16.398  -0.673  -0.248  1.00  0.00           N  
HETATM   11  O   UNL     1     -12.095   1.115  -1.244  1.00  0.00           O  
HETATM   12  O   UNL     1     -12.416  -1.650   2.166  1.00  0.00           O  
HETATM   13  O   UNL     1     -14.854  -2.380   2.089  1.00  0.00           O  
HETATM   14  O   UNL     1     -14.305   0.445   0.025  1.00  0.00           O  
HETATM   15  C   UNL     1     -11.898   0.678  -0.129  1.00  0.00           C  
HETATM   16  C   UNL     1     -12.996  -1.324   0.901  1.00  0.00           C  
HETATM   17  C   UNL     1     -14.476  -1.768   0.854  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.057   0.207   0.711  1.00  0.00           C  
HETATM   19  C   UNL     1     -15.255  -0.451   0.641  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.274   1.493   0.167  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.298   1.030   1.288  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.557   1.670  -0.603  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.734   1.192   0.250  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.037   1.371  -0.531  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.214   0.893   0.322  1.00  0.00           C  
HETATM   26  C   UNL     1      -9.517   1.073  -0.460  1.00  0.00           C  
HETATM   27  N   UNL     1     -10.643   0.615   0.357  1.00  0.00           N  
HETATM   28  N   UNL     1      -2.099   1.849  -0.390  1.00  0.00           N  
HETATM   29  C   UNL     1      -0.852   1.677   0.358  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.626   2.893   1.259  1.00  0.00           C  
HETATM   31  C   UNL     1       0.299   1.546  -0.606  1.00  0.00           C  
HETATM   32  O   UNL     1       0.096   1.592  -1.801  1.00  0.00           O  
HETATM   33  C   UNL     1       8.896   0.448  -0.704  1.00  0.00           C  
HETATM   34  O   UNL     1       8.878   0.430   0.508  1.00  0.00           O  
HETATM   35  C   UNL     1       7.612   0.625  -1.474  1.00  0.00           C  
HETATM   36  C   UNL     1       6.444   0.758  -0.495  1.00  0.00           C  
HETATM   37  C   UNL     1       5.141   0.938  -1.276  1.00  0.00           C  
HETATM   38  C   UNL     1       3.974   1.071  -0.297  1.00  0.00           C  
HETATM   39  C   UNL     1       2.671   1.250  -1.079  1.00  0.00           C  
HETATM   40  N   UNL     1       1.552   1.378  -0.141  1.00  0.00           N  
HETATM   41  N   UNL     1      10.063   0.309  -1.363  1.00  0.00           N  
HETATM   42  C   UNL     1      11.311   0.137  -0.615  1.00  0.00           C  
HETATM   43  C   UNL     1      11.864   1.509  -0.223  1.00  0.00           C  
HETATM   44  C   UNL     1      10.898   2.189   0.750  1.00  0.00           C  
HETATM   45  C   UNL     1      11.451   3.561   1.142  1.00  0.00           C  
HETATM   46  N   UNL     1      10.527   4.212   2.074  1.00  0.00           N  
HETATM   47  C   UNL     1      10.815   5.462   2.567  1.00  0.00           C  
HETATM   48  N   UNL     1       9.947   6.073   3.441  1.00  0.00           N  
HETATM   49  N   UNL     1      11.910   6.069   2.205  1.00  0.00           N  
HETATM   50  C   UNL     1      12.317  -0.583  -1.475  1.00  0.00           C  
HETATM   51  O   UNL     1      12.022  -0.919  -2.602  1.00  0.00           O  
HETATM   52  N   UNL     1      13.546  -0.853  -0.992  1.00  0.00           N  
HETATM   53  C   UNL     1      14.524  -1.553  -1.827  1.00  0.00           C  
HETATM   54  C   UNL     1      15.536  -2.273  -0.934  1.00  0.00           C  
HETATM   55  C   UNL     1      14.825  -3.370  -0.139  1.00  0.00           C  
HETATM   56  C   UNL     1      15.836  -4.090   0.754  1.00  0.00           C  
HETATM   57  N   UNL     1      15.155  -5.140   1.515  1.00  0.00           N  
HETATM   58  C   UNL     1      15.866  -5.926   2.391  1.00  0.00           C  
HETATM   59  N   UNL     1      17.217  -5.726   2.553  1.00  0.00           N  
HETATM   60  N   UNL     1      15.260  -6.860   3.069  1.00  0.00           N  
HETATM   61  C   UNL     1      15.244  -0.557  -2.700  1.00  0.00           C  
HETATM   62  O   UNL     1      14.967   0.622  -2.630  1.00  0.00           O  
HETATM   63  N   UNL     1      16.196  -0.975  -3.557  1.00  0.00           N  
HETATM   64  H   UNL     1     -19.952  -1.937   2.290  1.00  0.00           H  
HETATM   65  H   UNL     1     -21.479  -1.897  -2.007  1.00  0.00           H  
HETATM   66  H   UNL     1     -20.175  -1.431  -2.959  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.557  -0.228  -2.199  1.00  0.00           H  
HETATM   68  H   UNL     1     -11.487  -1.393   2.250  1.00  0.00           H  
HETATM   69  H   UNL     1     -14.353  -3.179   2.301  1.00  0.00           H  
HETATM   70  H   UNL     1     -12.432  -1.789   0.092  1.00  0.00           H  
HETATM   71  H   UNL     1     -14.643  -2.452   0.022  1.00  0.00           H  
HETATM   72  H   UNL     1     -13.054   0.712   1.678  1.00  0.00           H  
HETATM   73  H   UNL     1     -15.591  -0.049   1.597  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.691   2.723  -0.849  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.514   1.085  -1.522  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.600   0.138   0.496  1.00  0.00           H  
HETATM   77  H   UNL     1      -5.778   1.777   1.169  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.171   2.425  -0.777  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.993   0.786  -1.450  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.080  -0.160   0.568  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.257   1.478   1.241  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.650   2.126  -0.706  1.00  0.00           H  
HETATM   83  H   UNL     1      -9.473   0.488  -1.378  1.00  0.00           H  
HETATM   84  H   UNL     1     -10.486   0.266   1.249  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.080   2.220  -1.286  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.917   0.778   0.971  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.458   2.988   1.957  1.00  0.00           H  
HETATM   88  H   UNL     1       0.302   2.766   1.816  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.561   3.792   0.646  1.00  0.00           H  
HETATM   90  H   UNL     1       7.677   1.524  -2.087  1.00  0.00           H  
HETATM   91  H   UNL     1       7.451  -0.242  -2.116  1.00  0.00           H  
HETATM   92  H   UNL     1       6.380  -0.141   0.118  1.00  0.00           H  
HETATM   93  H   UNL     1       6.605   1.624   0.147  1.00  0.00           H  
HETATM   94  H   UNL     1       5.206   1.837  -1.889  1.00  0.00           H  
HETATM   95  H   UNL     1       4.980   0.071  -1.918  1.00  0.00           H  
HETATM   96  H   UNL     1       3.909   0.172   0.316  1.00  0.00           H  
HETATM   97  H   UNL     1       4.135   1.937   0.345  1.00  0.00           H  
HETATM   98  H   UNL     1       2.735   2.149  -1.691  1.00  0.00           H  
HETATM   99  H   UNL     1       2.509   0.384  -1.720  1.00  0.00           H  
HETATM  100  H   UNL     1       1.714   1.342   0.815  1.00  0.00           H  
HETATM  101  H   UNL     1      10.077   0.323  -2.333  1.00  0.00           H  
HETATM  102  H   UNL     1      11.117  -0.447   0.285  1.00  0.00           H  
HETATM  103  H   UNL     1      12.835   1.386   0.255  1.00  0.00           H  
HETATM  104  H   UNL     1      11.973   2.125  -1.116  1.00  0.00           H  
HETATM  105  H   UNL     1       9.927   2.312   0.272  1.00  0.00           H  
HETATM  106  H   UNL     1      10.788   1.573   1.643  1.00  0.00           H  
HETATM  107  H   UNL     1      12.422   3.438   1.620  1.00  0.00           H  
HETATM  108  H   UNL     1      11.561   4.177   0.250  1.00  0.00           H  
HETATM  109  H   UNL     1       9.711   3.760   2.343  1.00  0.00           H  
HETATM  110  H   UNL     1       9.132   5.622   3.710  1.00  0.00           H  
HETATM  111  H   UNL     1      10.151   6.955   3.789  1.00  0.00           H  
HETATM  112  H   UNL     1      12.113   6.951   2.553  1.00  0.00           H  
HETATM  113  H   UNL     1      13.783  -0.584  -0.090  1.00  0.00           H  
HETATM  114  H   UNL     1      14.011  -2.281  -2.455  1.00  0.00           H  
HETATM  115  H   UNL     1      16.314  -2.720  -1.553  1.00  0.00           H  
HETATM  116  H   UNL     1      15.986  -1.559  -0.245  1.00  0.00           H  
HETATM  117  H   UNL     1      14.046  -2.923   0.480  1.00  0.00           H  
HETATM  118  H   UNL     1      14.375  -4.085  -0.828  1.00  0.00           H  
HETATM  119  H   UNL     1      16.615  -4.537   0.135  1.00  0.00           H  
HETATM  120  H   UNL     1      16.286  -3.375   1.444  1.00  0.00           H  
HETATM  121  H   UNL     1      14.202  -5.281   1.401  1.00  0.00           H  
HETATM  122  H   UNL     1      17.668  -5.031   2.049  1.00  0.00           H  
HETATM  123  H   UNL     1      17.718  -6.280   3.171  1.00  0.00           H  
HETATM  124  H   UNL     1      15.762  -7.415   3.687  1.00  0.00           H  
HETATM  125  H   UNL     1      16.417  -1.918  -3.613  1.00  0.00           H  
HETATM  126  H   UNL     1      16.659  -0.334  -4.118  1.00  0.00           H  
CONECT    1    2    2    6                                            
CONECT    2    1    1    3   64                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   10                                       
CONECT    5    4    6    6    8                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6   65   66                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   67                                       
CONECT   10    4    9   19                                            
CONECT   11   15   15                                                 
CONECT   12   16   68                                                 
CONECT   13   17   69                                                 
CONECT   14   18   19                                                 
CONECT   15   11   11   18   27                                       
CONECT   16   12   17   18   70                                       
CONECT   17   13   16   19   71                                       
CONECT   18   14   15   16   72                                       
CONECT   19   10   14   17   73                                       
CONECT   20   21   21   22   28                                       
CONECT   21   20   20                                                 
CONECT   22   20   23   74   75                                       
CONECT   23   22   24   76   77                                       
CONECT   24   23   25   78   79                                       
CONECT   25   24   26   80   81                                       
CONECT   26   25   27   82   83                                       
CONECT   27   26   84   15                                            
CONECT   28   29   85   20                                            
CONECT   29   28   30   31   86                                       
CONECT   30   29   87   88   89                                       
CONECT   31   29   32   32   40                                       
CONECT   32   31   31                                                 
CONECT   33   34   34   35   41                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   90   91                                       
CONECT   36   35   37   92   93                                       
CONECT   37   36   38   94   95                                       
CONECT   38   37   39   96   97                                       
CONECT   39   38   40   98   99                                       
CONECT   40   39  100   31                                            
CONECT   41   42  101   33                                            
CONECT   42   41   43   50  102                                       
CONECT   43   42   44  103  104                                       
CONECT   44   43   45  105  106                                       
CONECT   45   44   46  107  108                                       
CONECT   46   45   47  109                                            
CONECT   47   46   48   49   49                                       
CONECT   48   47  110  111                                            
CONECT   49   47   47  112                                            
CONECT   50   42   51   51   52                                       
CONECT   51   50   50                                                 
CONECT   52   53  113   50                                            
CONECT   53   52   54   61  114                                       
CONECT   54   53   55  115  116                                       
CONECT   55   54   56  117  118                                       
CONECT   56   55   57  119  120                                       
CONECT   57   56   58  121                                            
CONECT   58   57   59   60   60                                       
CONECT   59   58  122  123                                            
CONECT   60   58   58  124                                            
CONECT   61   53   62   62   63                                       
CONECT   62   61   61                                                 
CONECT   63  125  126   61                                            
CONECT   64    2                                                      
CONECT   65    7                                                      
CONECT   66    7                                                      
CONECT   67    9                                                      
CONECT   68   12                                                      
CONECT   69   13                                                      
CONECT   70   16                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   36                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   37                                                      
CONECT   96   38                                                      
CONECT   97   38                                                      
CONECT   98   39                                                      
CONECT   99   39                                                      
CONECT  100   40                                                      
CONECT  101   41                                                      
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   48                                                      
CONECT  111   48                                                      
CONECT  112   49                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   54                                                      
CONECT  116   54                                                      
CONECT  117   55                                                      
CONECT  118   55                                                      
CONECT  119   56                                                      
CONECT  120   56                                                      
CONECT  121   57                                                      
CONECT  122   59                                                      
CONECT  123   59                                                      
CONECT  124   60                                                      
CONECT  125   63                                                      
CONECT  126   63                                                      
MASTER        0    0    0    0    0    0    0    0  126    0  126    0
END
