COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.779  -1.840   2.466  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.575  -1.328   2.803  1.00  0.00           C  
HETATM    3  O   UNL     1      -0.138  -0.409   2.163  1.00  0.00           O  
HETATM    4  C   UNL     1       0.153  -1.937   3.957  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.534  -1.570   5.277  1.00  0.00           C  
HETATM    6  C   UNL     1       0.124  -2.350   6.419  1.00  0.00           C  
HETATM    7  C   UNL     1       1.617  -2.019   6.488  1.00  0.00           C  
HETATM    8  C   UNL     1       2.282  -2.402   5.157  1.00  0.00           C  
HETATM    9  N   UNL     1       1.579  -1.620   4.103  1.00  0.00           N  
HETATM   10  C   UNL     1       2.289  -0.731   3.409  1.00  0.00           C  
HETATM   11  O   UNL     1       1.759   0.299   3.048  1.00  0.00           O  
HETATM   12  C   UNL     1       3.729  -0.858   3.135  1.00  0.00           C  
HETATM   13  O   UNL     1       4.199  -1.968   3.176  1.00  0.00           O  
HETATM   14  C   UNL     1       4.650   0.275   2.782  1.00  0.00           C  
HETATM   15  C   UNL     1       6.073  -0.099   3.201  1.00  0.00           C  
HETATM   16  C   UNL     1       7.054   1.015   2.827  1.00  0.00           C  
HETATM   17  C   UNL     1       6.910   1.285   1.317  1.00  0.00           C  
HETATM   18  C   UNL     1       5.441   1.640   1.077  1.00  0.00           C  
HETATM   19  O   UNL     1       4.602   0.543   1.385  1.00  0.00           O  
HETATM   20  O   UNL     1       4.249   1.438   3.517  1.00  0.00           O  
HETATM   21  C   UNL     1       6.124  -0.302   4.720  1.00  0.00           C  
HETATM   22  C   UNL     1       5.200   2.284  -0.262  1.00  0.00           C  
HETATM   23  C   UNL     1       5.706   1.545  -1.496  1.00  0.00           C  
HETATM   24  C   UNL     1       5.547   0.058  -1.336  1.00  0.00           C  
HETATM   25  C   UNL     1       4.887   2.022  -2.678  1.00  0.00           C  
HETATM   26  C   UNL     1       4.673   3.518  -2.811  1.00  0.00           C  
HETATM   27  C   UNL     1       4.330   1.223  -3.569  1.00  0.00           C  
HETATM   28  C   UNL     1       3.484   1.793  -4.624  1.00  0.00           C  
HETATM   29  C   UNL     1       2.757   0.968  -5.404  1.00  0.00           C  
HETATM   30  C   UNL     1       1.861   1.558  -6.398  1.00  0.00           C  
HETATM   31  C   UNL     1       1.077   0.765  -7.123  1.00  0.00           C  
HETATM   32  C   UNL     1       0.132   1.351  -8.139  1.00  0.00           C  
HETATM   33  C   UNL     1       0.756   1.252  -9.534  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.176   0.555  -8.108  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.973   0.921  -6.855  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.781   2.195  -7.124  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.920  -0.200  -6.509  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.991  -1.175  -7.216  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.775  -0.101  -5.269  1.00  0.00           C  
HETATM   40  O   UNL     1      -2.935   0.097  -4.130  1.00  0.00           O  
HETATM   41  C   UNL     1      -2.765   1.508  -3.983  1.00  0.00           C  
HETATM   42  C   UNL     1      -4.591  -1.381  -5.087  1.00  0.00           C  
HETATM   43  O   UNL     1      -5.730  -1.351  -5.948  1.00  0.00           O  
HETATM   44  C   UNL     1      -5.054  -1.478  -3.652  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.109  -0.530  -3.149  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.517  -2.383  -2.880  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.893  -2.550  -1.430  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.821  -4.037  -1.063  1.00  0.00           C  
HETATM   49  C   UNL     1      -3.890  -1.774  -0.609  1.00  0.00           C  
HETATM   50  O   UNL     1      -3.483  -0.710  -1.022  1.00  0.00           O  
HETATM   51  C   UNL     1      -3.392  -2.303   0.704  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.609  -1.217   1.452  1.00  0.00           C  
HETATM   53  C   UNL     1      -3.590  -0.255   2.124  1.00  0.00           C  
HETATM   54  C   UNL     1      -4.473   0.398   1.058  1.00  0.00           C  
HETATM   55  C   UNL     1      -2.811   0.826   2.874  1.00  0.00           C  
HETATM   56  C   UNL     1      -3.786   1.704   3.661  1.00  0.00           C  
HETATM   57  C   UNL     1      -4.451   0.871   4.759  1.00  0.00           C  
HETATM   58  C   UNL     1      -5.426   1.749   5.546  1.00  0.00           C  
HETATM   59  O   UNL     1      -6.046   0.971   6.572  1.00  0.00           O  
HETATM   60  C   UNL     1      -7.346   1.526   6.781  1.00  0.00           C  
HETATM   61  C   UNL     1      -4.664   2.915   6.180  1.00  0.00           C  
HETATM   62  O   UNL     1      -5.575   3.735   6.915  1.00  0.00           O  
HETATM   63  C   UNL     1      -4.000   3.748   5.082  1.00  0.00           C  
HETATM   64  C   UNL     1      -3.025   2.870   4.295  1.00  0.00           C  
HETATM   65  C   UNL     1       4.803  -2.511  -0.995  1.00  0.00           C  
HETATM   66  C   UNL     1       6.112  -2.228  -1.204  1.00  0.00           C  
HETATM   67  C   UNL     1       6.493  -0.911  -1.384  1.00  0.00           C  
HETATM   68  C   UNL     1       4.145  -3.850  -0.779  1.00  0.00           C  
HETATM   69  S   UNL     1       4.062  -0.888  -1.041  1.00  0.00           S  
HETATM   70  H   UNL     1       0.077  -3.038   3.849  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.589  -1.836   5.214  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.429  -0.503   5.452  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.002  -3.418   6.248  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.353  -2.076   7.361  1.00  0.00           H  
HETATM   75  H   UNL     1       2.080  -2.578   7.301  1.00  0.00           H  
HETATM   76  H   UNL     1       1.745  -0.950   6.663  1.00  0.00           H  
HETATM   77  H   UNL     1       2.154  -3.463   4.965  1.00  0.00           H  
HETATM   78  H   UNL     1       3.335  -2.132   5.176  1.00  0.00           H  
HETATM   79  H   UNL     1       6.371  -1.023   2.707  1.00  0.00           H  
HETATM   80  H   UNL     1       8.074   0.696   3.048  1.00  0.00           H  
HETATM   81  H   UNL     1       6.817   1.917   3.388  1.00  0.00           H  
HETATM   82  H   UNL     1       7.190   0.390   0.763  1.00  0.00           H  
HETATM   83  H   UNL     1       7.551   2.118   1.028  1.00  0.00           H  
HETATM   84  H   UNL     1       5.212   2.436   1.831  1.00  0.00           H  
HETATM   85  H   UNL     1       3.350   1.651   3.233  1.00  0.00           H  
HETATM   86  H   UNL     1       7.136  -0.582   5.015  1.00  0.00           H  
HETATM   87  H   UNL     1       5.843   0.623   5.220  1.00  0.00           H  
HETATM   88  H   UNL     1       5.431  -1.094   5.004  1.00  0.00           H  
HETATM   89  H   UNL     1       5.666   3.275  -0.239  1.00  0.00           H  
HETATM   90  H   UNL     1       4.118   2.431  -0.366  1.00  0.00           H  
HETATM   91  H   UNL     1       6.756   1.787  -1.672  1.00  0.00           H  
HETATM   92  H   UNL     1       5.128   3.869  -3.737  1.00  0.00           H  
HETATM   93  H   UNL     1       3.604   3.732  -2.828  1.00  0.00           H  
HETATM   94  H   UNL     1       5.132   4.028  -1.965  1.00  0.00           H  
HETATM   95  H   UNL     1       4.474   0.151  -3.593  1.00  0.00           H  
HETATM   96  H   UNL     1       3.424   2.851  -4.819  1.00  0.00           H  
HETATM   97  H   UNL     1       2.842  -0.099  -5.294  1.00  0.00           H  
HETATM   98  H   UNL     1       1.844   2.628  -6.535  1.00  0.00           H  
HETATM   99  H   UNL     1       1.125  -0.304  -6.973  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.057   2.396  -7.902  1.00  0.00           H  
HETATM  101  H   UNL     1       1.687   1.818  -9.557  1.00  0.00           H  
HETATM  102  H   UNL     1       0.960   0.207  -9.767  1.00  0.00           H  
HETATM  103  H   UNL     1       0.065   1.660 -10.271  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.949  -0.510  -8.098  1.00  0.00           H  
HETATM  105  H   UNL     1      -1.764   0.795  -8.995  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.292   1.094  -6.022  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.351   2.459  -6.234  1.00  0.00           H  
HETATM  108  H   UNL     1      -2.101   3.009  -7.375  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.464   2.023  -7.956  1.00  0.00           H  
HETATM  110  H   UNL     1      -4.456   0.745  -5.367  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.128   1.710  -3.122  1.00  0.00           H  
HETATM  112  H   UNL     1      -2.301   1.914  -4.882  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.738   1.977  -3.833  1.00  0.00           H  
HETATM  114  H   UNL     1      -3.972  -2.247  -5.319  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.215  -2.174  -5.798  1.00  0.00           H  
HETATM  116  H   UNL     1      -6.313  -0.737  -2.099  1.00  0.00           H  
HETATM  117  H   UNL     1      -5.755   0.495  -3.254  1.00  0.00           H  
HETATM  118  H   UNL     1      -7.022  -0.661  -3.730  1.00  0.00           H  
HETATM  119  H   UNL     1      -3.764  -3.040  -3.304  1.00  0.00           H  
HETATM  120  H   UNL     1      -5.896  -2.188  -1.230  1.00  0.00           H  
HETATM  121  H   UNL     1      -5.546  -4.594  -1.657  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.819  -4.414  -1.266  1.00  0.00           H  
HETATM  123  H   UNL     1      -5.048  -4.161  -0.004  1.00  0.00           H  
HETATM  124  H   UNL     1      -2.737  -3.157   0.532  1.00  0.00           H  
HETATM  125  H   UNL     1      -4.236  -2.612   1.321  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.977  -0.678   0.747  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.216  -0.805   2.826  1.00  0.00           H  
HETATM  128  H   UNL     1      -3.843   0.869   0.303  1.00  0.00           H  
HETATM  129  H   UNL     1      -5.098  -0.360   0.588  1.00  0.00           H  
HETATM  130  H   UNL     1      -5.106   1.153   1.525  1.00  0.00           H  
HETATM  131  H   UNL     1      -2.263   1.441   2.160  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.109   0.356   3.563  1.00  0.00           H  
HETATM  133  H   UNL     1      -4.550   2.093   2.987  1.00  0.00           H  
HETATM  134  H   UNL     1      -3.687   0.483   5.433  1.00  0.00           H  
HETATM  135  H   UNL     1      -4.993   0.041   4.307  1.00  0.00           H  
HETATM  136  H   UNL     1      -6.189   2.138   4.872  1.00  0.00           H  
HETATM  137  H   UNL     1      -7.861   0.962   7.559  1.00  0.00           H  
HETATM  138  H   UNL     1      -7.252   2.567   7.089  1.00  0.00           H  
HETATM  139  H   UNL     1      -7.918   1.471   5.855  1.00  0.00           H  
HETATM  140  H   UNL     1      -3.901   2.527   6.854  1.00  0.00           H  
HETATM  141  H   UNL     1      -5.056   4.456   7.297  1.00  0.00           H  
HETATM  142  H   UNL     1      -3.458   4.579   5.534  1.00  0.00           H  
HETATM  143  H   UNL     1      -4.764   4.136   4.408  1.00  0.00           H  
HETATM  144  H   UNL     1      -2.261   2.482   4.969  1.00  0.00           H  
HETATM  145  H   UNL     1      -2.552   3.463   3.513  1.00  0.00           H  
HETATM  146  H   UNL     1       6.847  -3.019  -1.233  1.00  0.00           H  
HETATM  147  H   UNL     1       7.529  -0.658  -1.553  1.00  0.00           H  
HETATM  148  H   UNL     1       3.073  -3.709  -0.642  1.00  0.00           H  
HETATM  149  H   UNL     1       4.320  -4.485  -1.648  1.00  0.00           H  
HETATM  150  H   UNL     1       4.566  -4.323   0.107  1.00  0.00           H  
CONECT    1    2   52                                                 
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    9   70                                       
CONECT    5    4    6   71   72                                       
CONECT    6    5    7   73   74                                       
CONECT    7    6    8   75   76                                       
CONECT    8    7    9   77   78                                       
CONECT    9    4    8   10                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   13   14                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   19   20                                       
CONECT   15   14   16   21   79                                       
CONECT   16   15   17   80   81                                       
CONECT   17   16   18   82   83                                       
CONECT   18   17   19   22   84                                       
CONECT   19   14   18                                                 
CONECT   20   14   85                                                 
CONECT   21   15   86   87   88                                       
CONECT   22   18   23   89   90                                       
CONECT   23   22   24   25   91                                       
CONECT   24   23   67   67   69                                       
CONECT   25   23   26   27   27                                       
CONECT   26   25   92   93   94                                       
CONECT   27   25   25   28   95                                       
CONECT   28   27   29   29   96                                       
CONECT   29   28   28   30   97                                       
CONECT   30   29   31   31   98                                       
CONECT   31   30   30   32   99                                       
CONECT   32   31   33   34  100                                       
CONECT   33   32  101  102  103                                       
CONECT   34   32   35  104  105                                       
CONECT   35   34   36   37  106                                       
CONECT   36   35  107  108  109                                       
CONECT   37   35   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40   42  110                                       
CONECT   40   39   41                                                 
CONECT   41   40  111  112  113                                       
CONECT   42   39   43   44  114                                       
CONECT   43   42  115                                                 
CONECT   44   42   45   46   46                                       
CONECT   45   44  116  117  118                                       
CONECT   46   44   44   47  119                                       
CONECT   47   46   48   49  120                                       
CONECT   48   47  121  122  123                                       
CONECT   49   47   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52  124  125                                       
CONECT   52    1   51   53  126                                       
CONECT   53   52   54   55  127                                       
CONECT   54   53  128  129  130                                       
CONECT   55   53   56  131  132                                       
CONECT   56   55   57   64  133                                       
CONECT   57   56   58  134  135                                       
CONECT   58   57   59   61  136                                       
CONECT   59   58   60                                                 
CONECT   60   59  137  138  139                                       
CONECT   61   58   62   63  140                                       
CONECT   62   61  141                                                 
CONECT   63   61   64  142  143                                       
CONECT   64   56   63  144  145                                       
CONECT   65   66   66   68   69                                       
CONECT   66   65   65   67  146                                       
CONECT   67   24   24   66  147                                       
CONECT   68   65  148  149  150                                       
CONECT   69   24   65                                                 
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79   15                                                      
CONECT   80   16                                                      
CONECT   81   16                                                      
CONECT   82   17                                                      
CONECT   83   17                                                      
CONECT   84   18                                                      
CONECT   85   20                                                      
CONECT   86   21                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   22                                                      
CONECT   90   22                                                      
CONECT   91   23                                                      
CONECT   92   26                                                      
CONECT   93   26                                                      
CONECT   94   26                                                      
CONECT   95   27                                                      
CONECT   96   28                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   32                                                      
CONECT  101   33                                                      
CONECT  102   33                                                      
CONECT  103   33                                                      
CONECT  104   34                                                      
CONECT  105   34                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   36                                                      
CONECT  109   36                                                      
CONECT  110   39                                                      
CONECT  111   41                                                      
CONECT  112   41                                                      
CONECT  113   41                                                      
CONECT  114   42                                                      
CONECT  115   43                                                      
CONECT  116   45                                                      
CONECT  117   45                                                      
CONECT  118   45                                                      
CONECT  119   46                                                      
CONECT  120   47                                                      
CONECT  121   48                                                      
CONECT  122   48                                                      
CONECT  123   48                                                      
CONECT  124   51                                                      
CONECT  125   51                                                      
CONECT  126   52                                                      
CONECT  127   53                                                      
CONECT  128   54                                                      
CONECT  129   54                                                      
CONECT  130   54                                                      
CONECT  131   55                                                      
CONECT  132   55                                                      
CONECT  133   56                                                      
CONECT  134   57                                                      
CONECT  135   57                                                      
CONECT  136   58                                                      
CONECT  137   60                                                      
CONECT  138   60                                                      
CONECT  139   60                                                      
CONECT  140   61                                                      
CONECT  141   62                                                      
CONECT  142   63                                                      
CONECT  143   63                                                      
CONECT  144   64                                                      
CONECT  145   64                                                      
CONECT  146   66                                                      
CONECT  147   67                                                      
CONECT  148   68                                                      
CONECT  149   68                                                      
CONECT  150   68                                                      
MASTER        0    0    0    0    0    0    0    0  150    0  150    0
END
