COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.879   4.350  -0.310  1.00  0.00           C  
HETATM    2  C   UNL     1       1.499   3.592  -0.229  1.00  0.00           C  
HETATM    3  C   UNL     1       3.170   2.319  -1.581  1.00  0.00           C  
HETATM    4  P   UNL     1      -0.264   1.379  -2.631  1.00  0.00           P  
HETATM    5  P   UNL     1       1.734   7.104   0.953  1.00  0.00           P  
HETATM    6  P   UNL     1       5.857   5.753   0.813  1.00  0.00           P  
HETATM    7  O   UNL     1       0.852   1.642  -1.501  1.00  0.00           O  
HETATM    8  O   UNL     1       2.222   5.569   0.958  1.00  0.00           O  
HETATM    9  O   UNL     1       4.741   5.489  -0.317  1.00  0.00           O  
HETATM   10  O   UNL     1       0.139   4.025  -0.161  1.00  0.00           O  
HETATM   11  O   UNL     1       5.454   3.107  -1.657  1.00  0.00           O  
HETATM   12  O   UNL     1       3.468   1.504  -0.445  1.00  0.00           O  
HETATM   13  O   UNL     1      -0.955  -0.054  -2.380  1.00  0.00           O  
HETATM   14  O   UNL     1       0.374   1.391  -3.967  1.00  0.00           O  
HETATM   15  O   UNL     1       1.742   7.675   2.458  1.00  0.00           O  
HETATM   16  O   UNL     1       2.649   7.910   0.115  1.00  0.00           O  
HETATM   17  O   UNL     1       5.218   5.740   2.148  1.00  0.00           O  
HETATM   18  O   UNL     1       6.976   4.597   0.742  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.383   2.534  -2.560  1.00  0.00           O  
HETATM   20  O   UNL     1       0.241   7.190   0.355  1.00  0.00           O  
HETATM   21  O   UNL     1       6.547   7.185   0.562  1.00  0.00           O  
HETATM   22  O   UNL     1      -3.072  -1.799  -1.485  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.203  -2.190  -1.636  1.00  0.00           O  
HETATM   24  O   UNL     1      -4.952  -1.607  -2.629  1.00  0.00           O  
HETATM   25  O   UNL     1       1.135  -3.942  -1.782  1.00  0.00           O  
HETATM   26  C   UNL     1       2.422   4.812  -0.237  1.00  0.00           C  
HETATM   27  C   UNL     1       1.714   2.782  -1.508  1.00  0.00           C  
HETATM   28  C   UNL     1       4.093   3.539  -1.589  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.913  -0.623  -3.274  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.365  -1.984  -2.739  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.141  -2.873  -2.509  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.400  -1.615  -1.555  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.201  -1.417  -0.294  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.677  -1.230  -0.652  1.00  0.00           C  
HETATM   35  C   UNL     1       0.932  -2.839  -1.333  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.490  -1.029   0.628  1.00  0.00           C  
HETATM   37  C   UNL     1       1.952  -2.193  -0.432  1.00  0.00           C  
HETATM   38  C   UNL     1      -8.966  -0.842   0.271  1.00  0.00           C  
HETATM   39  C   UNL     1       3.142  -3.137  -0.249  1.00  0.00           C  
HETATM   40  C   UNL     1       4.178  -2.481   0.665  1.00  0.00           C  
HETATM   41  C   UNL     1      -9.779  -0.641   1.551  1.00  0.00           C  
HETATM   42  C   UNL     1       5.368  -3.426   0.848  1.00  0.00           C  
HETATM   43  C   UNL     1     -11.255  -0.454   1.194  1.00  0.00           C  
HETATM   44  C   UNL     1       6.404  -2.769   1.763  1.00  0.00           C  
HETATM   45  C   UNL     1       7.594  -3.714   1.946  1.00  0.00           C  
HETATM   46  C   UNL     1     -12.069  -0.253   2.474  1.00  0.00           C  
HETATM   47  C   UNL     1     -17.933  -1.798   1.442  1.00  0.00           C  
HETATM   48  C   UNL     1     -18.506  -3.122   0.933  1.00  0.00           C  
HETATM   49  C   UNL     1      14.157  -5.547   1.815  1.00  0.00           C  
HETATM   50  C   UNL     1      14.939  -5.642   0.503  1.00  0.00           C  
HETATM   51  C   UNL     1       8.630  -3.057   2.860  1.00  0.00           C  
HETATM   52  C   UNL     1     -16.457  -1.985   1.800  1.00  0.00           C  
HETATM   53  C   UNL     1      12.968  -4.602   1.632  1.00  0.00           C  
HETATM   54  C   UNL     1     -19.982  -2.935   0.576  1.00  0.00           C  
HETATM   55  C   UNL     1     -15.884  -0.661   2.309  1.00  0.00           C  
HETATM   56  C   UNL     1      12.186  -4.506   2.943  1.00  0.00           C  
HETATM   57  C   UNL     1     -20.555  -4.260   0.067  1.00  0.00           C  
HETATM   58  C   UNL     1     -13.522  -0.069   2.122  1.00  0.00           C  
HETATM   59  C   UNL     1     -14.430  -0.845   2.661  1.00  0.00           C  
HETATM   60  C   UNL     1       9.802  -3.988   3.040  1.00  0.00           C  
HETATM   61  C   UNL     1      11.014  -3.576   2.763  1.00  0.00           C  
HETATM   62  H   UNL     1       4.106   3.728   0.557  1.00  0.00           H  
HETATM   63  H   UNL     1       1.727   2.971   0.637  1.00  0.00           H  
HETATM   64  H   UNL     1       3.323   1.741  -2.493  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.503   3.302  -0.152  1.00  0.00           H  
HETATM   66  H   UNL     1       5.662   2.586  -2.444  1.00  0.00           H  
HETATM   67  H   UNL     1       4.377   1.174  -0.425  1.00  0.00           H  
HETATM   68  H   UNL     1       1.458   8.596   2.531  1.00  0.00           H  
HETATM   69  H   UNL     1       7.436   4.547  -0.107  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.843   2.584  -1.711  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.413   6.684   0.855  1.00  0.00           H  
HETATM   72  H   UNL     1       7.231   7.410   1.208  1.00  0.00           H  
HETATM   73  H   UNL     1       2.195   5.434  -1.103  1.00  0.00           H  
HETATM   74  H   UNL     1       1.487   3.403  -2.375  1.00  0.00           H  
HETATM   75  H   UNL     1       3.866   4.161  -2.455  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.774   0.040  -3.354  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.461  -0.752  -4.258  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.027  -2.457  -3.464  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.660  -3.084  -3.464  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.454  -3.808  -2.045  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.090  -2.291   0.348  1.00  0.00           H  
HETATM   82  H   UNL     1      -4.839  -0.532   0.231  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.787  -0.356  -1.293  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.038  -2.114  -1.177  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.379  -1.903   1.270  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.129  -0.145   1.153  1.00  0.00           H  
HETATM   87  H   UNL     1       2.294  -1.260  -0.881  1.00  0.00           H  
HETATM   88  H   UNL     1       1.501  -1.985   0.538  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.076   0.032  -0.371  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.327  -1.726  -0.254  1.00  0.00           H  
HETATM   91  H   UNL     1       2.800  -4.070   0.200  1.00  0.00           H  
HETATM   92  H   UNL     1       3.593  -3.345  -1.219  1.00  0.00           H  
HETATM   93  H   UNL     1       4.520  -1.549   0.216  1.00  0.00           H  
HETATM   94  H   UNL     1       3.727  -2.273   1.635  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.669  -1.515   2.193  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.418   0.243   2.076  1.00  0.00           H  
HETATM   97  H   UNL     1       5.026  -4.358   1.297  1.00  0.00           H  
HETATM   98  H   UNL     1       5.819  -3.634  -0.122  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.366   0.420   0.552  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.617  -1.338   0.669  1.00  0.00           H  
HETATM  101  H   UNL     1       6.746  -1.837   1.314  1.00  0.00           H  
HETATM  102  H   UNL     1       5.953  -2.561   2.733  1.00  0.00           H  
HETATM  103  H   UNL     1       7.252  -4.646   2.395  1.00  0.00           H  
HETATM  104  H   UNL     1       8.045  -3.922   0.976  1.00  0.00           H  
HETATM  105  H   UNL     1     -11.958  -1.127   3.115  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.707   0.631   2.999  1.00  0.00           H  
HETATM  107  H   UNL     1     -18.025  -1.040   0.665  1.00  0.00           H  
HETATM  108  H   UNL     1     -18.483  -1.480   2.327  1.00  0.00           H  
HETATM  109  H   UNL     1     -17.955  -3.440   0.048  1.00  0.00           H  
HETATM  110  H   UNL     1     -18.413  -3.881   1.711  1.00  0.00           H  
HETATM  111  H   UNL     1      13.796  -6.536   2.095  1.00  0.00           H  
HETATM  112  H   UNL     1      14.809  -5.162   2.599  1.00  0.00           H  
HETATM  113  H   UNL     1      14.287  -6.026  -0.282  1.00  0.00           H  
HETATM  114  H   UNL     1      15.301  -4.653   0.223  1.00  0.00           H  
HETATM  115  H   UNL     1       8.972  -2.125   2.411  1.00  0.00           H  
HETATM  116  H   UNL     1       8.179  -2.849   3.830  1.00  0.00           H  
HETATM  117  H   UNL     1     -16.365  -2.743   2.577  1.00  0.00           H  
HETATM  118  H   UNL     1     -15.906  -2.303   0.914  1.00  0.00           H  
HETATM  119  H   UNL     1      13.329  -3.612   1.351  1.00  0.00           H  
HETATM  120  H   UNL     1      12.316  -4.986   0.847  1.00  0.00           H  
HETATM  121  H   UNL     1     -20.532  -2.618   1.461  1.00  0.00           H  
HETATM  122  H   UNL     1     -20.074  -2.177  -0.202  1.00  0.00           H  
HETATM  123  H   UNL     1     -15.976   0.098   1.531  1.00  0.00           H  
HETATM  124  H   UNL     1     -16.435  -0.343   3.194  1.00  0.00           H  
HETATM  125  H   UNL     1      11.824  -5.496   3.224  1.00  0.00           H  
HETATM  126  H   UNL     1      12.838  -4.122   3.728  1.00  0.00           H  
HETATM  127  H   UNL     1     -20.004  -4.578  -0.818  1.00  0.00           H  
HETATM  128  H   UNL     1     -20.462  -5.018   0.844  1.00  0.00           H  
HETATM  129  H   UNL     1     -13.816   0.702   1.425  1.00  0.00           H  
HETATM  130  H   UNL     1     -14.137  -1.616   3.358  1.00  0.00           H  
HETATM  131  H   UNL     1       9.642  -4.994   3.398  1.00  0.00           H  
HETATM  132  H   UNL     1      11.174  -2.570   2.405  1.00  0.00           H  
HETATM  133  C   UNL     1     -22.030  -4.073  -0.291  1.00  0.00           C  
HETATM  134  C   UNL     1     -22.604  -5.397  -0.800  1.00  0.00           C  
HETATM  135  C   UNL     1      16.129  -6.587   0.686  1.00  0.00           C  
HETATM  136  C   UNL     1      16.911  -6.682  -0.626  1.00  0.00           C  
HETATM  137  C   UNL     1      18.101  -7.627  -0.442  1.00  0.00           C  
HETATM  138  C   UNL     1      18.882  -7.722  -1.754  1.00  0.00           C  
HETATM  139  H   UNL     1     -22.581  -3.755   0.594  1.00  0.00           H  
HETATM  140  H   UNL     1     -22.123  -3.314  -1.068  1.00  0.00           H  
HETATM  141  H   UNL     1     -23.655  -5.264  -1.054  1.00  0.00           H  
HETATM  142  H   UNL     1     -22.053  -5.715  -1.685  1.00  0.00           H  
HETATM  143  H   UNL     1     -22.511  -6.156  -0.023  1.00  0.00           H  
HETATM  144  H   UNL     1      19.730  -8.395  -1.624  1.00  0.00           H  
HETATM  145  H   UNL     1      18.231  -8.106  -2.539  1.00  0.00           H  
HETATM  146  H   UNL     1      19.244  -6.733  -2.034  1.00  0.00           H  
HETATM  147  H   UNL     1      18.752  -7.242   0.342  1.00  0.00           H  
HETATM  148  H   UNL     1      17.739  -8.616  -0.162  1.00  0.00           H  
HETATM  149  H   UNL     1      16.259  -7.066  -1.410  1.00  0.00           H  
HETATM  150  H   UNL     1      17.272  -5.693  -0.906  1.00  0.00           H  
HETATM  151  H   UNL     1      16.781  -6.202   1.470  1.00  0.00           H  
HETATM  152  H   UNL     1      15.767  -7.576   0.966  1.00  0.00           H  
CONECT    1   28   26    9   62                                       
CONECT    2   27   10   26   63                                       
CONECT    3   12   27   28   64                                       
CONECT    4   14   14   13    7                                       
CONECT    4   19                                                      
CONECT    5    8   16   16   20                                       
CONECT    5   15                                                      
CONECT    6    9   17   17   21                                       
CONECT    6   18                                                      
CONECT    7    4   27                                                 
CONECT    8   26    5                                                 
CONECT    9    1    6                                                 
CONECT   10    2   65                                                 
CONECT   11   28   66                                                 
CONECT   12    3   67                                                 
CONECT   13    4   29                                                 
CONECT   14    4    4                                                 
CONECT   15    5   68                                                 
CONECT   16    5    5                                                 
CONECT   17    6    6                                                 
CONECT   18    6   69                                                 
CONECT   19    4   70                                                 
CONECT   20    5   71                                                 
CONECT   21    6   72                                                 
CONECT   22   30   32                                                 
CONECT   23   35   31                                                 
CONECT   24   32   32                                                 
CONECT   25   35   35                                                 
CONECT   26    2    1    8   73                                       
CONECT   27    7    3    2   74                                       
CONECT   28    3   11    1   75                                       
CONECT   29   30   13   76   77                                       
CONECT   30   31   22   29   78                                       
CONECT   31   23   30   79   80                                       
CONECT   32   33   24   24   22                                       
CONECT   33   32   34   81   82                                       
CONECT   34   33   36   83   84                                       
CONECT   35   25   25   37   23                                       
CONECT   36   38   34   85   86                                       
CONECT   37   39   35   87   88                                       
CONECT   38   41   36   89   90                                       
CONECT   39   40   37   91   92                                       
CONECT   40   42   39   93   94                                       
CONECT   41   43   38   95   96                                       
CONECT   42   44   40   97   98                                       
CONECT   43   46   41   99  100                                       
CONECT   44   45   42  101  102                                       
CONECT   45   51   44  103  104                                       
CONECT   46   58   43  105  106                                       
CONECT   47   48   52  107  108                                       
CONECT   48   54   47  109  110                                       
CONECT   49   53   50  111  112                                       
CONECT   50   49  113  114  135                                       
CONECT   51   60   45  115  116                                       
CONECT   52   47   55  117  118                                       
CONECT   53   56   49  119  120                                       
CONECT   54   48   57  121  122                                       
CONECT   55   52   59  123  124                                       
CONECT   56   53   61  125  126                                       
CONECT   57   54  127  128  133                                       
CONECT   58   59   59   46  129                                       
CONECT   59   55   58   58  130                                       
CONECT   60   61   61   51  131                                       
CONECT   61   56   60   60  132                                       
CONECT   62    1                                                      
CONECT   63    2                                                      
CONECT   64    3                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   12                                                      
CONECT   68   15                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   30                                                      
CONECT   79   31                                                      
CONECT   80   31                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   34                                                      
CONECT   84   34                                                      
CONECT   85   36                                                      
CONECT   86   36                                                      
CONECT   87   37                                                      
CONECT   88   37                                                      
CONECT   89   38                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   39                                                      
CONECT   93   40                                                      
CONECT   94   40                                                      
CONECT   95   41                                                      
CONECT   96   41                                                      
CONECT   97   42                                                      
CONECT   98   42                                                      
CONECT   99   43                                                      
CONECT  100   43                                                      
CONECT  101   44                                                      
CONECT  102   44                                                      
CONECT  103   45                                                      
CONECT  104   45                                                      
CONECT  105   46                                                      
CONECT  106   46                                                      
CONECT  107   47                                                      
CONECT  108   47                                                      
CONECT  109   48                                                      
CONECT  110   48                                                      
CONECT  111   49                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   50                                                      
CONECT  115   51                                                      
CONECT  116   51                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   53                                                      
CONECT  120   53                                                      
CONECT  121   54                                                      
CONECT  122   54                                                      
CONECT  123   55                                                      
CONECT  124   55                                                      
CONECT  125   56                                                      
CONECT  126   56                                                      
CONECT  127   57                                                      
CONECT  128   57                                                      
CONECT  129   58                                                      
CONECT  130   59                                                      
CONECT  131   60                                                      
CONECT  132   61                                                      
CONECT  133   57  134  139  140                                       
CONECT  134  133  141  142  143                                       
CONECT  135   50  136  151  152                                       
CONECT  136  135  137  149  150                                       
CONECT  137  136  138  147  148                                       
CONECT  138  137  144  145  146                                       
CONECT  139  133                                                      
CONECT  140  133                                                      
CONECT  141  134                                                      
CONECT  142  134                                                      
CONECT  143  134                                                      
CONECT  144  138                                                      
CONECT  145  138                                                      
CONECT  146  138                                                      
CONECT  147  137                                                      
CONECT  148  137                                                      
CONECT  149  136                                                      
CONECT  150  136                                                      
CONECT  151  135                                                      
CONECT  152  135                                                      
MASTER        0    0    0    0    0    0    0    0  152    0  152    0
END
