COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   1      -1.714  -7.755   0.344  1.00  0.00           C  
HETATM    2  S   UNK A   1      -0.974  -6.147   0.740  1.00  0.00           S  
HETATM    3  C   UNK A   1      -3.782  -9.144   0.529  1.00  0.00           C  
HETATM    4  O   UNK A   1      -3.563  -9.548  -0.824  1.00  0.00           O  
HETATM    5  N   UNK A   1      -3.917  -6.777  -0.071  1.00  0.00           N  
HETATM    6  C   UNK A   1      -3.190  -7.751   0.747  1.00  0.00           C  
HETATM    7  C   UNK A   1       0.746  -6.345   0.199  1.00  0.00           C  
HETATM    8  C   UNK A   1       1.518  -5.052   0.469  1.00  0.00           C  
HETATM    9  O   UNK A   1       0.903  -3.959  -0.262  1.00  0.00           O  
HETATM   10  C   UNK A   1       2.969  -5.219   0.012  1.00  0.00           C  
HETATM   11  O   UNK A   1       3.730  -4.037   0.376  1.00  0.00           O  
HETATM   12  C   UNK A   1      21.965   3.978  -0.561  1.00  0.00           C  
HETATM   13  C   UNK A   1      21.099   2.767  -0.911  1.00  0.00           C  
HETATM   14  C   UNK A   1      19.668   3.006  -0.425  1.00  0.00           C  
HETATM   15  C   UNK A   1      18.802   1.794  -0.775  1.00  0.00           C  
HETATM   16  C   UNK A   1      17.371   2.033  -0.289  1.00  0.00           C  
HETATM   17  C   UNK A   1      16.504   0.822  -0.640  1.00  0.00           C  
HETATM   18  C   UNK A   1      15.073   1.061  -0.154  1.00  0.00           C  
HETATM   19  C   UNK A   1      14.207  -0.151  -0.504  1.00  0.00           C  
HETATM   20  C   UNK A   1      12.776   0.088  -0.018  1.00  0.00           C  
HETATM   21  C   UNK A   1      11.909  -1.123  -0.368  1.00  0.00           C  
HETATM   22  C   UNK A   1      10.478  -0.885   0.118  1.00  0.00           C  
HETATM   23  C   UNK A   1       9.612  -2.096  -0.233  1.00  0.00           C  
HETATM   24  C   UNK A   1       8.181  -1.857   0.254  1.00  0.00           C  
HETATM   25  C   UNK A   1       7.315  -3.069  -0.097  1.00  0.00           C  
HETATM   26  C   UNK A   1       5.884  -2.830   0.389  1.00  0.00           C  
HETATM   27  C   UNK A   1       5.030  -4.023   0.044  1.00  0.00           C  
HETATM   28  O   UNK A   1       5.517  -4.968  -0.532  1.00  0.00           O  
HETATM   29  C   UNK A   1      -2.219  15.728   0.329  1.00  0.00           C  
HETATM   30  C   UNK A   1      -1.595  14.526   1.042  1.00  0.00           C  
HETATM   31  C   UNK A   1      -1.847  13.259   0.222  1.00  0.00           C  
HETATM   32  C   UNK A   1      -1.223  12.058   0.934  1.00  0.00           C  
HETATM   33  C   UNK A   1      -1.475  10.791   0.114  1.00  0.00           C  
HETATM   34  C   UNK A   1      -0.851   9.590   0.827  1.00  0.00           C  
HETATM   35  C   UNK A   1      -1.103   8.323   0.006  1.00  0.00           C  
HETATM   36  C   UNK A   1      -0.479   7.121   0.719  1.00  0.00           C  
HETATM   37  C   UNK A   1      -0.731   5.855  -0.101  1.00  0.00           C  
HETATM   38  C   UNK A   1      -0.107   4.653   0.612  1.00  0.00           C  
HETATM   39  C   UNK A   1      -0.359   3.386  -0.209  1.00  0.00           C  
HETATM   40  C   UNK A   1       0.265   2.185   0.504  1.00  0.00           C  
HETATM   41  C   UNK A   1       0.013   0.918  -0.317  1.00  0.00           C  
HETATM   42  C   UNK A   1       0.637  -0.283   0.396  1.00  0.00           C  
HETATM   43  C   UNK A   1       0.385  -1.550  -0.424  1.00  0.00           C  
HETATM   44  C   UNK A   1       1.000  -2.734   0.278  1.00  0.00           C  
HETATM   45  O   UNK A   1       1.579  -2.580   1.327  1.00  0.00           O  
HETATM   46  C   UNK A   0     -19.846   5.178  -1.163  1.00  0.00           C  
HETATM   47  C   UNK A   0     -19.087   4.161  -0.309  1.00  0.00           C  
HETATM   48  C   UNK A   0     -17.840   3.692  -1.061  1.00  0.00           C  
HETATM   49  C   UNK A   0     -17.081   2.675  -0.207  1.00  0.00           C  
HETATM   50  C   UNK A   0     -15.834   2.206  -0.959  1.00  0.00           C  
HETATM   51  C   UNK A   0     -15.074   1.189  -0.105  1.00  0.00           C  
HETATM   52  C   UNK A   0     -13.828   0.720  -0.857  1.00  0.00           C  
HETATM   53  C   UNK A   0     -13.068  -0.296  -0.003  1.00  0.00           C  
HETATM   54  C   UNK A   0     -11.821  -0.765  -0.756  1.00  0.00           C  
HETATM   55  C   UNK A   0     -11.062  -1.782   0.099  1.00  0.00           C  
HETATM   56  C   UNK A   0      -9.815  -2.251  -0.654  1.00  0.00           C  
HETATM   57  C   UNK A   0      -9.056  -3.268   0.201  1.00  0.00           C  
HETATM   58  C   UNK A   0      -7.809  -3.737  -0.552  1.00  0.00           C  
HETATM   59  C   UNK A   0      -7.050  -4.754   0.303  1.00  0.00           C  
HETATM   60  C   UNK A   0      -5.803  -5.222  -0.450  1.00  0.00           C  
HETATM   61  C   UNK A   0      -5.055  -6.224   0.392  1.00  0.00           C  
HETATM   62  O   UNK A   0      -5.478  -6.533   1.486  1.00  0.00           O  
HETATM   63  H   UNK A   0     -20.142   4.713  -2.103  1.00  0.00           H  
HETATM   64  H   UNK A   0     -20.734   5.511  -0.627  1.00  0.00           H  
HETATM   65  H   UNK A   0     -19.202   6.033  -1.368  1.00  0.00           H  
HETATM   66  H   UNK A   0     -18.790   4.626   0.632  1.00  0.00           H  
HETATM   67  H   UNK A   0     -19.731   3.305  -0.104  1.00  0.00           H  
HETATM   68  H   UNK A   0     -18.136   3.227  -2.001  1.00  0.00           H  
HETATM   69  H   UNK A   0     -17.196   4.547  -1.266  1.00  0.00           H  
HETATM   70  H   UNK A   0     -16.784   3.140   0.734  1.00  0.00           H  
HETATM   71  H   UNK A   0     -17.725   1.820  -0.002  1.00  0.00           H  
HETATM   72  H   UNK A   0     -16.130   1.741  -1.900  1.00  0.00           H  
HETATM   73  H   UNK A   0     -15.190   3.062  -1.164  1.00  0.00           H  
HETATM   74  H   UNK A   0     -14.778   1.654   0.836  1.00  0.00           H  
HETATM   75  H   UNK A   0     -15.718   0.334   0.100  1.00  0.00           H  
HETATM   76  H   UNK A   0     -14.124   0.256  -1.798  1.00  0.00           H  
HETATM   77  H   UNK A   0     -13.184   1.576  -1.062  1.00  0.00           H  
HETATM   78  H   UNK A   0     -12.772   0.168   0.937  1.00  0.00           H  
HETATM   79  H   UNK A   0     -13.712  -1.152   0.202  1.00  0.00           H  
HETATM   80  H   UNK A   0     -12.118  -1.230  -1.696  1.00  0.00           H  
HETATM   81  H   UNK A   0     -11.177   0.090  -0.960  1.00  0.00           H  
HETATM   82  H   UNK A   0     -10.766  -1.317   1.039  1.00  0.00           H  
HETATM   83  H   UNK A   0     -11.706  -2.638   0.304  1.00  0.00           H  
HETATM   84  H   UNK A   0     -10.112  -2.716  -1.594  1.00  0.00           H  
HETATM   85  H   UNK A   0      -9.171  -1.396  -0.858  1.00  0.00           H  
HETATM   86  H   UNK A   0      -8.759  -2.803   1.141  1.00  0.00           H  
HETATM   87  H   UNK A   0      -9.700  -4.123   0.406  1.00  0.00           H  
HETATM   88  H   UNK A   0      -8.106  -4.202  -1.492  1.00  0.00           H  
HETATM   89  H   UNK A   0      -7.165  -2.881  -0.756  1.00  0.00           H  
HETATM   90  H   UNK A   0      -6.753  -4.289   1.243  1.00  0.00           H  
HETATM   91  H   UNK A   0      -7.694  -5.609   0.508  1.00  0.00           H  
HETATM   92  H   UNK A   0      -6.099  -5.687  -1.390  1.00  0.00           H  
HETATM   93  H   UNK A   0      -5.159  -4.367  -0.654  1.00  0.00           H  
HETATM   94  H   UNK A   1      -3.579  -6.530  -0.946  1.00  0.00           H  
HETATM   95  H   UNK A   1      -3.278  -7.479   1.799  1.00  0.00           H  
HETATM   96  H   UNK A   1      -4.853  -9.120   0.731  1.00  0.00           H  
HETATM   97  H   UNK A   1      -3.301  -9.853   1.202  1.00  0.00           H  
HETATM   98  H   UNK A   1      -3.913 -10.425  -1.035  1.00  0.00           H  
HETATM   99  H   UNK A   1      -1.630  -7.939  -0.727  1.00  0.00           H  
HETATM  100  H   UNK A   1      -1.190  -8.541   0.889  1.00  0.00           H  
HETATM  101  H   UNK A   1       1.208  -7.166   0.748  1.00  0.00           H  
HETATM  102  H   UNK A   1       0.768  -6.564  -0.869  1.00  0.00           H  
HETATM  103  H   UNK A   1       1.497  -4.833   1.537  1.00  0.00           H  
HETATM  104  H   UNK A   1       3.404  -6.094   0.495  1.00  0.00           H  
HETATM  105  H   UNK A   1       2.996  -5.350  -1.069  1.00  0.00           H  
HETATM  106  H   UNK A   1       5.886  -2.686   1.469  1.00  0.00           H  
HETATM  107  H   UNK A   1       5.479  -1.941  -0.095  1.00  0.00           H  
HETATM  108  H   UNK A   1       7.312  -3.213  -1.177  1.00  0.00           H  
HETATM  109  H   UNK A   1       7.719  -3.957   0.387  1.00  0.00           H  
HETATM  110  H   UNK A   1       8.184  -1.713   1.334  1.00  0.00           H  
HETATM  111  H   UNK A   1       7.776  -0.969  -0.231  1.00  0.00           H  
HETATM  112  H   UNK A   1       9.609  -2.241  -1.313  1.00  0.00           H  
HETATM  113  H   UNK A   1      10.017  -2.985   0.252  1.00  0.00           H  
HETATM  114  H   UNK A   1      10.481  -0.740   1.198  1.00  0.00           H  
HETATM  115  H   UNK A   1      10.074   0.004  -0.367  1.00  0.00           H  
HETATM  116  H   UNK A   1      11.907  -1.268  -1.449  1.00  0.00           H  
HETATM  117  H   UNK A   1      12.314  -2.012   0.116  1.00  0.00           H  
HETATM  118  H   UNK A   1      12.778   0.232   1.062  1.00  0.00           H  
HETATM  119  H   UNK A   1      12.371   0.976  -0.502  1.00  0.00           H  
HETATM  120  H   UNK A   1      14.204  -0.295  -1.584  1.00  0.00           H  
HETATM  121  H   UNK A   1      14.611  -1.039  -0.020  1.00  0.00           H  
HETATM  122  H   UNK A   1      15.076   1.205   0.927  1.00  0.00           H  
HETATM  123  H   UNK A   1      14.668   1.949  -0.638  1.00  0.00           H  
HETATM  124  H   UNK A   1      16.501   0.677  -1.720  1.00  0.00           H  
HETATM  125  H   UNK A   1      16.909  -0.067  -0.155  1.00  0.00           H  
HETATM  126  H   UNK A   1      17.373   2.178   0.791  1.00  0.00           H  
HETATM  127  H   UNK A   1      16.966   2.922  -0.774  1.00  0.00           H  
HETATM  128  H   UNK A   1      18.799   1.650  -1.856  1.00  0.00           H  
HETATM  129  H   UNK A   1      19.206   0.906  -0.291  1.00  0.00           H  
HETATM  130  H   UNK A   1      19.670   3.150   0.655  1.00  0.00           H  
HETATM  131  H   UNK A   1      19.263   3.894  -0.910  1.00  0.00           H  
HETATM  132  H   UNK A   1      21.096   2.623  -1.992  1.00  0.00           H  
HETATM  133  H   UNK A   1      21.504   1.878  -0.427  1.00  0.00           H  
HETATM  134  H   UNK A   1      22.985   3.808  -0.907  1.00  0.00           H  
HETATM  135  H   UNK A   1      21.560   4.867  -1.045  1.00  0.00           H  
HETATM  136  H   UNK A   1      21.968   4.123   0.520  1.00  0.00           H  
HETATM  137  H   UNK A   1      -0.688  -1.707  -0.530  1.00  0.00           H  
HETATM  138  H   UNK A   1       0.835  -1.439  -1.411  1.00  0.00           H  
HETATM  139  H   UNK A   1       1.710  -0.126   0.502  1.00  0.00           H  
HETATM  140  H   UNK A   1       0.187  -0.394   1.383  1.00  0.00           H  
HETATM  141  H   UNK A   1      -1.060   0.761  -0.422  1.00  0.00           H  
HETATM  142  H   UNK A   1       0.463   1.029  -1.303  1.00  0.00           H  
HETATM  143  H   UNK A   1       1.338   2.342   0.610  1.00  0.00           H  
HETATM  144  H   UNK A   1      -0.185   2.074   1.491  1.00  0.00           H  
HETATM  145  H   UNK A   1      -1.432   3.229  -0.315  1.00  0.00           H  
HETATM  146  H   UNK A   1       0.091   3.497  -1.195  1.00  0.00           H  
HETATM  147  H   UNK A   1       0.966   4.810   0.717  1.00  0.00           H  
HETATM  148  H   UNK A   1      -0.557   4.542   1.598  1.00  0.00           H  
HETATM  149  H   UNK A   1      -1.804   5.697  -0.207  1.00  0.00           H  
HETATM  150  H   UNK A   1      -0.281   5.965  -1.088  1.00  0.00           H  
HETATM  151  H   UNK A   1       0.594   7.279   0.825  1.00  0.00           H  
HETATM  152  H   UNK A   1      -0.929   7.010   1.706  1.00  0.00           H  
HETATM  153  H   UNK A   1      -2.176   8.166  -0.099  1.00  0.00           H  
HETATM  154  H   UNK A   1      -0.653   8.434  -0.980  1.00  0.00           H  
HETATM  155  H   UNK A   1       0.222   9.747   0.933  1.00  0.00           H  
HETATM  156  H   UNK A   1      -1.301   9.479   1.814  1.00  0.00           H  
HETATM  157  H   UNK A   1      -2.548  10.634   0.008  1.00  0.00           H  
HETATM  158  H   UNK A   1      -1.025  10.902  -0.873  1.00  0.00           H  
HETATM  159  H   UNK A   1      -0.150  12.215   1.040  1.00  0.00           H  
HETATM  160  H   UNK A   1      -1.673  11.947   1.921  1.00  0.00           H  
HETATM  161  H   UNK A   1      -2.921  13.102   0.116  1.00  0.00           H  
HETATM  162  H   UNK A   1      -1.397  13.370  -0.765  1.00  0.00           H  
HETATM  163  H   UNK A   1      -0.522  14.683   1.148  1.00  0.00           H  
HETATM  164  H   UNK A   1      -2.045  14.415   2.029  1.00  0.00           H  
HETATM  165  H   UNK A   1      -2.040  16.630   0.914  1.00  0.00           H  
HETATM  166  H   UNK A   1      -1.769  15.839  -0.657  1.00  0.00           H  
HETATM  167  H   UNK A   1      -3.293  15.571   0.224  1.00  0.00           H  
CONECT    1    6    2   99  100                                       
CONECT    2    1    7                                                 
CONECT    3    6    4   96   97                                       
CONECT    4    3   98                                                 
CONECT    5   61    6   94                                            
CONECT    6    1    3    5   95                                       
CONECT    7    2    8  101  102                                       
CONECT    8    7   10    9  103                                       
CONECT    9    8   44                                                 
CONECT   10    8   11  104  105                                       
CONECT   11   10   27                                                 
CONECT   12   13  134  135  136                                       
CONECT   13   12   14  132  133                                       
CONECT   14   13   15  130  131                                       
CONECT   15   14   16  128  129                                       
CONECT   16   15   17  126  127                                       
CONECT   17   16   18  124  125                                       
CONECT   18   17   19  122  123                                       
CONECT   19   18   20  120  121                                       
CONECT   20   19   21  118  119                                       
CONECT   21   20   22  116  117                                       
CONECT   22   21   23  114  115                                       
CONECT   23   22   24  112  113                                       
CONECT   24   23   25  110  111                                       
CONECT   25   24   26  108  109                                       
CONECT   26   25   27  106  107                                       
CONECT   27   11   26   28   28                                       
CONECT   28   27   27                                                 
CONECT   29   30  165  166  167                                       
CONECT   30   29   31  163  164                                       
CONECT   31   30   32  161  162                                       
CONECT   32   31   33  159  160                                       
CONECT   33   32   34  157  158                                       
CONECT   34   33   35  155  156                                       
CONECT   35   34   36  153  154                                       
CONECT   36   35   37  151  152                                       
CONECT   37   36   38  149  150                                       
CONECT   38   37   39  147  148                                       
CONECT   39   38   40  145  146                                       
CONECT   40   39   41  143  144                                       
CONECT   41   40   42  141  142                                       
CONECT   42   41   43  139  140                                       
CONECT   43   42   44  137  138                                       
CONECT   44    9   43   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   47   63   64   65                                       
CONECT   47   46   48   66   67                                       
CONECT   48   47   49   68   69                                       
CONECT   49   48   50   70   71                                       
CONECT   50   49   51   72   73                                       
CONECT   51   50   52   74   75                                       
CONECT   52   51   53   76   77                                       
CONECT   53   52   54   78   79                                       
CONECT   54   53   55   80   81                                       
CONECT   55   54   56   82   83                                       
CONECT   56   55   57   84   85                                       
CONECT   57   56   58   86   87                                       
CONECT   58   57   59   88   89                                       
CONECT   59   58   60   90   91                                       
CONECT   60   59   61   92   93                                       
CONECT   61    5   60   62   62                                       
CONECT   62   61   61                                                 
CONECT   63   46                                                      
CONECT   64   46                                                      
CONECT   65   46                                                      
CONECT   66   47                                                      
CONECT   67   47                                                      
CONECT   68   48                                                      
CONECT   69   48                                                      
CONECT   70   49                                                      
CONECT   71   49                                                      
CONECT   72   50                                                      
CONECT   73   50                                                      
CONECT   74   51                                                      
CONECT   75   51                                                      
CONECT   76   52                                                      
CONECT   77   52                                                      
CONECT   78   53                                                      
CONECT   79   53                                                      
CONECT   80   54                                                      
CONECT   81   54                                                      
CONECT   82   55                                                      
CONECT   83   55                                                      
CONECT   84   56                                                      
CONECT   85   56                                                      
CONECT   86   57                                                      
CONECT   87   57                                                      
CONECT   88   58                                                      
CONECT   89   58                                                      
CONECT   90   59                                                      
CONECT   91   59                                                      
CONECT   92   60                                                      
CONECT   93   60                                                      
CONECT   94    5                                                      
CONECT   95    6                                                      
CONECT   96    3                                                      
CONECT   97    3                                                      
CONECT   98    4                                                      
CONECT   99    1                                                      
CONECT  100    1                                                      
CONECT  101    7                                                      
CONECT  102    7                                                      
CONECT  103    8                                                      
CONECT  104   10                                                      
CONECT  105   10                                                      
CONECT  106   26                                                      
CONECT  107   26                                                      
CONECT  108   25                                                      
CONECT  109   25                                                      
CONECT  110   24                                                      
CONECT  111   24                                                      
CONECT  112   23                                                      
CONECT  113   23                                                      
CONECT  114   22                                                      
CONECT  115   22                                                      
CONECT  116   21                                                      
CONECT  117   21                                                      
CONECT  118   20                                                      
CONECT  119   20                                                      
CONECT  120   19                                                      
CONECT  121   19                                                      
CONECT  122   18                                                      
CONECT  123   18                                                      
CONECT  124   17                                                      
CONECT  125   17                                                      
CONECT  126   16                                                      
CONECT  127   16                                                      
CONECT  128   15                                                      
CONECT  129   15                                                      
CONECT  130   14                                                      
CONECT  131   14                                                      
CONECT  132   13                                                      
CONECT  133   13                                                      
CONECT  134   12                                                      
CONECT  135   12                                                      
CONECT  136   12                                                      
CONECT  137   43                                                      
CONECT  138   43                                                      
CONECT  139   42                                                      
CONECT  140   42                                                      
CONECT  141   41                                                      
CONECT  142   41                                                      
CONECT  143   40                                                      
CONECT  144   40                                                      
CONECT  145   39                                                      
CONECT  146   39                                                      
CONECT  147   38                                                      
CONECT  148   38                                                      
CONECT  149   37                                                      
CONECT  150   37                                                      
CONECT  151   36                                                      
CONECT  152   36                                                      
CONECT  153   35                                                      
CONECT  154   35                                                      
CONECT  155   34                                                      
CONECT  156   34                                                      
CONECT  157   33                                                      
CONECT  158   33                                                      
CONECT  159   32                                                      
CONECT  160   32                                                      
CONECT  161   31                                                      
CONECT  162   31                                                      
CONECT  163   30                                                      
CONECT  164   30                                                      
CONECT  165   29                                                      
CONECT  166   29                                                      
CONECT  167   29                                                      
MASTER        0    0    0    0    0    0    0    0  167    0  167    0
END
