COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNK A   0      22.767 -12.897  -2.954  1.00  0.00           N  
HETATM    2  C   UNK A   0      15.406  -1.400   0.844  1.00  0.00           C  
HETATM    3  C   UNK A   0      14.021   0.629   1.299  1.00  0.00           C  
HETATM    4  C   UNK A   0      11.886   3.442   2.833  1.00  0.00           C  
HETATM    5  C   UNK A   0      11.262   4.669   2.220  1.00  0.00           C  
HETATM    6  C   UNK A   0       7.919   7.376   0.454  1.00  0.00           C  
HETATM    7  C   UNK A   0      16.790  -3.430   0.388  1.00  0.00           C  
HETATM    8  C   UNK A   0      17.424  -4.675   1.011  1.00  0.00           C  
HETATM    9  C   UNK A   0      18.174  -5.459  -0.068  1.00  0.00           C  
HETATM   10  C   UNK A   0      18.808  -6.705   0.555  1.00  0.00           C  
HETATM   11  C   UNK A   0      19.559  -7.488  -0.523  1.00  0.00           C  
HETATM   12  C   UNK A   0      20.192  -8.734   0.100  1.00  0.00           C  
HETATM   13  C   UNK A   0      20.943  -9.518  -0.979  1.00  0.00           C  
HETATM   14  C   UNK A   0      21.576 -10.763  -0.356  1.00  0.00           C  
HETATM   15  C   UNK A   0      22.316 -11.535  -1.418  1.00  0.00           C  
HETATM   16  C   UNK A   0      16.039  -2.646   1.466  1.00  0.00           C  
HETATM   17  C   UNK A   0      14.655  -0.616   1.922  1.00  0.00           C  
HETATM   18  C   UNK A   0      13.271   1.413   2.378  1.00  0.00           C  
HETATM   19  C   UNK A   0      12.637   2.659   1.755  1.00  0.00           C  
HETATM   20  C   UNK A   0       8.630   6.213   1.149  1.00  0.00           C  
HETATM   21  C   UNK A   0       6.881   6.827  -0.526  1.00  0.00           C  
HETATM   22  C   UNK A   0       6.181   7.973  -1.211  1.00  0.00           C  
HETATM   23  C   UNK A   0       4.540   8.840  -2.789  1.00  0.00           C  
HETATM   24  C   UNK A   0       3.502   8.291  -3.769  1.00  0.00           C  
HETATM   25  C   UNK A   0       1.455   7.048  -3.872  1.00  0.00           C  
HETATM   26  C   UNK A   0       0.421   6.338  -2.995  1.00  0.00           C  
HETATM   27  C   UNK A   0      -1.230   6.735  -1.304  1.00  0.00           C  
HETATM   28  C   UNK A   0      -1.859   7.829  -0.481  1.00  0.00           C  
HETATM   29  C   UNK A   1      -3.437   8.596   1.210  1.00  0.00           C  
HETATM   30  C   UNK A   1      -4.841   8.168   1.641  1.00  0.00           C  
HETATM   31  C   UNK A   1      -5.733   8.027   0.407  1.00  0.00           C  
HETATM   32  C   UNK A   1      -7.116   7.605   0.832  1.00  0.00           C  
HETATM   33  C   UNK A   1      -9.422   7.008   0.319  1.00  0.00           C  
HETATM   34  C   UNK A   1     -10.112   6.282  -0.837  1.00  0.00           C  
HETATM   35  C   UNK A   1      -9.366   4.981  -1.140  1.00  0.00           C  
HETATM   36  C   UNK A   1     -10.046   4.265  -2.279  1.00  0.00           C  
HETATM   37  C   UNK A   1     -10.221   2.393  -3.828  1.00  0.00           C  
HETATM   38  C   UNK A   1      -9.475   1.091  -4.130  1.00  0.00           C  
HETATM   39  C   UNK A   1      -8.919  -1.043  -3.191  1.00  0.00           C  
HETATM   40  C   UNK A   1      -9.101  -1.901  -1.938  1.00  0.00           C  
HETATM   41  C   UNK A   0     -10.765  -3.032  -0.634  1.00  0.00           C  
HETATM   42  C   UNK A   0     -12.244  -3.313  -0.567  1.00  0.00           C  
HETATM   43  C   UNK A   1     -14.181  -4.333   0.502  1.00  0.00           C  
HETATM   44  C   UNK A   1     -14.420  -5.626   1.284  1.00  0.00           C  
HETATM   45  C   UNK A   1     -13.817  -6.805   0.516  1.00  0.00           C  
HETATM   46  C   UNK A   1     -14.056  -8.098   1.298  1.00  0.00           C  
HETATM   47  C   UNK A   1     -13.454  -9.276   0.530  1.00  0.00           C  
HETATM   48  C   UNK A   1     -13.236 -11.689   0.790  1.00  0.00           C  
HETATM   49  C   UNK A   1     -13.471 -12.963   1.560  1.00  0.00           C  
HETATM   50  C   UNK A   1     -13.134 -15.778   1.716  1.00  0.00           C  
HETATM   51  C   UNK A   1     -12.589 -17.057   1.077  1.00  0.00           C  
HETATM   52  C   UNK A   1     -14.879  -3.191   1.196  1.00  0.00           C  
HETATM   53  C   UNK A   1     -10.225   8.226   0.698  1.00  0.00           C  
HETATM   54  C   UNK A   1      -2.593   8.854   2.431  1.00  0.00           C  
HETATM   55  N   UNK A   0      23.594 -11.384  -1.765  1.00  0.00           N  
HETATM   56  N   UNK A   0      23.840 -12.229  -2.707  1.00  0.00           N  
HETATM   57  N   UNK A   0      21.825 -12.484  -2.178  1.00  0.00           N  
HETATM   58  N   UNK A   0      10.547   5.516   2.986  1.00  0.00           N  
HETATM   59  N   UNK A   0       5.220   7.727  -2.123  1.00  0.00           N  
HETATM   60  N   UNK A   1      -2.826   7.532   0.410  1.00  0.00           N  
HETATM   61  N   UNK A   1      -8.078   7.418  -0.094  1.00  0.00           N  
HETATM   62  N   UNK A   1      -9.560   3.088  -2.721  1.00  0.00           N  
HETATM   63  N   UNK A   1     -12.743  -4.059   0.438  1.00  0.00           N  
HETATM   64  N   UNK A   1     -13.682 -10.515   1.278  1.00  0.00           N  
HETATM   65  O   UNK A   0      11.404   4.895   1.036  1.00  0.00           O  
HETATM   66  O   UNK A   0      10.928   7.487   1.611  1.00  0.00           O  
HETATM   67  O   UNK A   0       9.222   7.515   3.402  1.00  0.00           O  
HETATM   68  O   UNK A   0       6.483   9.116  -0.941  1.00  0.00           O  
HETATM   69  O   UNK A   0       2.480   7.602  -3.045  1.00  0.00           O  
HETATM   70  O   UNK A   0      -0.239   7.297  -2.167  1.00  0.00           O  
HETATM   71  O   UNK A   0      -1.494   8.978  -0.619  1.00  0.00           O  
HETATM   72  O   UNK A   1      -7.364   7.434   2.006  1.00  0.00           O  
HETATM   73  O   UNK A   1     -11.029   4.749  -2.798  1.00  0.00           O  
HETATM   74  O   UNK A   1      -9.585   0.209  -3.011  1.00  0.00           O  
HETATM   75  O   UNK A   1     -10.484  -2.227  -1.781  1.00  0.00           O  
HETATM   76  O   UNK A   0     -12.984  -2.869  -1.419  1.00  0.00           O  
HETATM   77  O   UNK A   1     -12.645 -11.720  -0.269  1.00  0.00           O  
HETATM   78  O   UNK A   1     -12.886 -18.174   1.917  1.00  0.00           O  
HETATM   79  O   UNK A   1     -16.209  -3.224   1.370  1.00  0.00           O  
HETATM   80  O   UNK A   1     -14.241  -2.246   1.595  1.00  0.00           O  
HETATM   81  O   UNK A   1      -9.725   9.324   0.629  1.00  0.00           O  
HETATM   82  O   UNK A   1     -11.495   8.091   1.111  1.00  0.00           O  
HETATM   83  O   UNK A   1      -2.961   9.794   3.316  1.00  0.00           O  
HETATM   84  O   UNK A   1      -1.584   8.214   2.615  1.00  0.00           O  
HETATM   85  S   UNK A   0       9.861   6.864   2.312  1.00  0.00           S  
HETATM   86  S   UNK A   1     -12.757 -14.360   0.649  1.00  0.00           S  
HETATM   87  H   UNK A   0      22.681 -13.597  -3.621  1.00  0.00           H  
HETATM   88  H   UNK A   0      16.186  -0.772   0.414  1.00  0.00           H  
HETATM   89  H   UNK A   0      14.709  -1.700   0.061  1.00  0.00           H  
HETATM   90  H   UNK A   0      14.802   1.258   0.870  1.00  0.00           H  
HETATM   91  H   UNK A   0      13.325   0.330   0.516  1.00  0.00           H  
HETATM   92  H   UNK A   0      12.583   3.742   3.616  1.00  0.00           H  
HETATM   93  H   UNK A   0      11.106   2.814   3.262  1.00  0.00           H  
HETATM   94  H   UNK A   0       7.422   7.996   1.200  1.00  0.00           H  
HETATM   95  H   UNK A   0       8.650   7.976  -0.088  1.00  0.00           H  
HETATM   96  H   UNK A   0      17.570  -2.801  -0.041  1.00  0.00           H  
HETATM   97  H   UNK A   0      16.093  -3.729  -0.395  1.00  0.00           H  
HETATM   98  H   UNK A   0      18.120  -4.376   1.794  1.00  0.00           H  
HETATM   99  H   UNK A   0      16.643  -5.304   1.440  1.00  0.00           H  
HETATM  100  H   UNK A   0      17.478  -5.759  -0.850  1.00  0.00           H  
HETATM  101  H   UNK A   0      18.955  -4.830  -0.497  1.00  0.00           H  
HETATM  102  H   UNK A   0      19.504  -6.405   1.338  1.00  0.00           H  
HETATM  103  H   UNK A   0      18.028  -7.333   0.984  1.00  0.00           H  
HETATM  104  H   UNK A   0      18.862  -7.788  -1.306  1.00  0.00           H  
HETATM  105  H   UNK A   0      20.339  -6.860  -0.952  1.00  0.00           H  
HETATM  106  H   UNK A   0      20.889  -8.434   0.882  1.00  0.00           H  
HETATM  107  H   UNK A   0      19.412  -9.363   0.529  1.00  0.00           H  
HETATM  108  H   UNK A   0      20.246  -9.817  -1.762  1.00  0.00           H  
HETATM  109  H   UNK A   0      21.723  -8.889  -1.408  1.00  0.00           H  
HETATM  110  H   UNK A   0      22.273 -10.464   0.427  1.00  0.00           H  
HETATM  111  H   UNK A   0      20.796 -11.392   0.073  1.00  0.00           H  
HETATM  112  H   UNK A   0      16.736  -2.346   2.249  1.00  0.00           H  
HETATM  113  H   UNK A   0      15.259  -3.274   1.895  1.00  0.00           H  
HETATM  114  H   UNK A   0      13.875  -1.245   2.351  1.00  0.00           H  
HETATM  115  H   UNK A   0      15.351  -0.317   2.705  1.00  0.00           H  
HETATM  116  H   UNK A   0      12.490   0.784   2.807  1.00  0.00           H  
HETATM  117  H   UNK A   0      13.967   1.712   3.160  1.00  0.00           H  
HETATM  118  H   UNK A   0      11.940   2.359   0.972  1.00  0.00           H  
HETATM  119  H   UNK A   0      13.417   3.287   1.326  1.00  0.00           H  
HETATM  120  H   UNK A   0       7.899   5.613   1.692  1.00  0.00           H  
HETATM  121  H   UNK A   0       9.127   5.593   0.403  1.00  0.00           H  
HETATM  122  H   UNK A   0       7.378   6.207  -1.272  1.00  0.00           H  
HETATM  123  H   UNK A   0       6.151   6.227   0.016  1.00  0.00           H  
HETATM  124  H   UNK A   0       5.270   9.441  -3.331  1.00  0.00           H  
HETATM  125  H   UNK A   0       4.042   9.460  -2.043  1.00  0.00           H  
HETATM  126  H   UNK A   0       3.058   9.115  -4.328  1.00  0.00           H  
HETATM  127  H   UNK A   0       3.985   7.601  -4.461  1.00  0.00           H  
HETATM  128  H   UNK A   0       1.896   6.332  -4.566  1.00  0.00           H  
HETATM  129  H   UNK A   0       0.969   7.846  -4.433  1.00  0.00           H  
HETATM  130  H   UNK A   0      -0.312   5.840  -3.629  1.00  0.00           H  
HETATM  131  H   UNK A   0       0.922   5.600  -2.369  1.00  0.00           H  
HETATM  132  H   UNK A   0      -0.764   6.004  -0.642  1.00  0.00           H  
HETATM  133  H   UNK A   0      -1.998   6.245  -1.903  1.00  0.00           H  
HETATM  134  H   UNK A   1      -3.502   9.507   0.615  1.00  0.00           H  
HETATM  135  H   UNK A   1      -4.785   7.211   2.161  1.00  0.00           H  
HETATM  136  H   UNK A   1      -5.261   8.920   2.309  1.00  0.00           H  
HETATM  137  H   UNK A   1      -5.789   8.984  -0.112  1.00  0.00           H  
HETATM  138  H   UNK A   1      -5.313   7.275  -0.262  1.00  0.00           H  
HETATM  139  H   UNK A   1      -9.351   6.339   1.177  1.00  0.00           H  
HETATM  140  H   UNK A   1     -11.142   6.055  -0.562  1.00  0.00           H  
HETATM  141  H   UNK A   1     -10.104   6.919  -1.722  1.00  0.00           H  
HETATM  142  H   UNK A   1      -8.337   5.207  -1.415  1.00  0.00           H  
HETATM  143  H   UNK A   1      -9.374   4.344  -0.255  1.00  0.00           H  
HETATM  144  H   UNK A   1     -10.213   3.030  -4.713  1.00  0.00           H  
HETATM  145  H   UNK A   1     -11.251   2.166  -3.553  1.00  0.00           H  
HETATM  146  H   UNK A   1      -9.912   0.618  -5.010  1.00  0.00           H  
HETATM  147  H   UNK A   1      -8.424   1.310  -4.319  1.00  0.00           H  
HETATM  148  H   UNK A   1      -7.857  -0.868  -3.361  1.00  0.00           H  
HETATM  149  H   UNK A   1      -9.344  -1.560  -4.051  1.00  0.00           H  
HETATM  150  H   UNK A   1      -8.521  -2.819  -2.039  1.00  0.00           H  
HETATM  151  H   UNK A   1      -8.757  -1.348  -1.065  1.00  0.00           H  
HETATM  152  H   UNK A   0     -10.455  -2.502   0.266  1.00  0.00           H  
HETATM  153  H   UNK A   0     -10.219  -3.973  -0.707  1.00  0.00           H  
HETATM  154  H   UNK A   1     -14.576  -4.440  -0.508  1.00  0.00           H  
HETATM  155  H   UNK A   1     -13.947  -5.551   2.263  1.00  0.00           H  
HETATM  156  H   UNK A   1     -15.491  -5.783   1.409  1.00  0.00           H  
HETATM  157  H   UNK A   1     -14.290  -6.879  -0.463  1.00  0.00           H  
HETATM  158  H   UNK A   1     -12.746  -6.648   0.391  1.00  0.00           H  
HETATM  159  H   UNK A   1     -13.583  -8.023   2.277  1.00  0.00           H  
HETATM  160  H   UNK A   1     -15.127  -8.255   1.422  1.00  0.00           H  
HETATM  161  H   UNK A   1     -13.926  -9.351  -0.450  1.00  0.00           H  
HETATM  162  H   UNK A   1     -12.382  -9.119   0.405  1.00  0.00           H  
HETATM  163  H   UNK A   1     -12.998 -12.888   2.539  1.00  0.00           H  
HETATM  164  H   UNK A   1     -14.542 -13.120   1.684  1.00  0.00           H  
HETATM  165  H   UNK A   1     -14.214 -15.865   1.836  1.00  0.00           H  
HETATM  166  H   UNK A   1     -12.670 -15.633   2.691  1.00  0.00           H  
HETATM  167  H   UNK A   1     -13.053 -17.202   0.101  1.00  0.00           H  
HETATM  168  H   UNK A   1     -11.509 -16.970   0.956  1.00  0.00           H  
HETATM  169  H   UNK A   0      10.433   5.336   3.932  1.00  0.00           H  
HETATM  170  H   UNK A   0       4.979   6.812  -2.339  1.00  0.00           H  
HETATM  171  H   UNK A   1      -3.118   6.614   0.520  1.00  0.00           H  
HETATM  172  H   UNK A   1      -7.880   7.555  -1.034  1.00  0.00           H  
HETATM  173  H   UNK A   1      -8.774   2.701  -2.306  1.00  0.00           H  
HETATM  174  H   UNK A   1     -12.151  -4.415   1.118  1.00  0.00           H  
HETATM  175  H   UNK A   1     -14.155 -10.490   2.125  1.00  0.00           H  
HETATM  176  H   UNK A   1     -12.569 -19.020   1.573  1.00  0.00           H  
HETATM  177  H   UNK A   1     -16.612  -2.469   1.820  1.00  0.00           H  
HETATM  178  H   UNK A   1     -11.969   8.901   1.343  1.00  0.00           H  
HETATM  179  H   UNK A   1      -2.388   9.923   4.084  1.00  0.00           H  
CONECT    1   57   56   87                                            
CONECT    2   17   16   88   89                                       
CONECT    3   17   18   90   91                                       
CONECT    4    5   19   92   93                                       
CONECT    5   65   65   58    4                                       
CONECT    6   21   20   94   95                                       
CONECT    7   16    8   96   97                                       
CONECT    8    9    7   98   99                                       
CONECT    9    8   10  100  101                                       
CONECT   10    9   11  102  103                                       
CONECT   11   10   12  104  105                                       
CONECT   12   11   13  106  107                                       
CONECT   13   12   14  108  109                                       
CONECT   14   13   15  110  111                                       
CONECT   15   14   55   57   57                                       
CONECT   16    2    7  112  113                                       
CONECT   17    2    3  114  115                                       
CONECT   18   19    3  116  117                                       
CONECT   19    4   18  118  119                                       
CONECT   20    6   85  120  121                                       
CONECT   21   22    6  122  123                                       
CONECT   22   59   68   68   21                                       
CONECT   23   24   59  124  125                                       
CONECT   24   69   23  126  127                                       
CONECT   25   26   69  128  129                                       
CONECT   26   70   25  130  131                                       
CONECT   27   28   70  132  133                                       
CONECT   28   71   71   27   60                                       
CONECT   29   30   60   54  134                                       
CONECT   30   31   29  135  136                                       
CONECT   31   30   32  137  138                                       
CONECT   32   31   72   72   61                                       
CONECT   33   61   34   53  139                                       
CONECT   34   33   35  140  141                                       
CONECT   35   36   34  142  143                                       
CONECT   36   62   73   73   35                                       
CONECT   37   38   62  144  145                                       
CONECT   38   74   37  146  147                                       
CONECT   39   40   74  148  149                                       
CONECT   40   75   39  150  151                                       
CONECT   41   42   75  152  153                                       
CONECT   42   63   76   76   41                                       
CONECT   43   44   52   63  154                                       
CONECT   44   45   43  155  156                                       
CONECT   45   46   44  157  158                                       
CONECT   46   47   45  159  160                                       
CONECT   47   64   46  161  162                                       
CONECT   48   49   64   77   77                                       
CONECT   49   86   48  163  164                                       
CONECT   50   51   86  165  166                                       
CONECT   51   78   50  167  168                                       
CONECT   52   80   80   43   79                                       
CONECT   53   33   81   81   82                                       
CONECT   54   29   84   84   83                                       
CONECT   55   15   56   56                                            
CONECT   56   55   55    1                                            
CONECT   57   15   15    1                                            
CONECT   58   85    5  169                                            
CONECT   59   23   22  170                                            
CONECT   60   28   29  171                                            
CONECT   61   32   33  172                                            
CONECT   62   37   36  173                                            
CONECT   63   43   42  174                                            
CONECT   64   48   47  175                                            
CONECT   65    5    5                                                 
CONECT   66   85   85                                                 
CONECT   67   85   85                                                 
CONECT   68   22   22                                                 
CONECT   69   25   24                                                 
CONECT   70   27   26                                                 
CONECT   71   28   28                                                 
CONECT   72   32   32                                                 
CONECT   73   36   36                                                 
CONECT   74   39   38                                                 
CONECT   75   41   40                                                 
CONECT   76   42   42                                                 
CONECT   77   48   48                                                 
CONECT   78   51  176                                                 
CONECT   79   52  177                                                 
CONECT   80   52   52                                                 
CONECT   81   53   53                                                 
CONECT   82   53  178                                                 
CONECT   83   54  179                                                 
CONECT   84   54   54                                                 
CONECT   85   67   67   20   66                                       
CONECT   85   66   58                                                 
CONECT   86   50   49                                                 
CONECT   87    1                                                      
CONECT   88    2                                                      
CONECT   89    2                                                      
CONECT   90    3                                                      
CONECT   91    3                                                      
CONECT   92    4                                                      
CONECT   93    4                                                      
CONECT   94    6                                                      
CONECT   95    6                                                      
CONECT   96    7                                                      
CONECT   97    7                                                      
CONECT   98    8                                                      
CONECT   99    8                                                      
CONECT  100    9                                                      
CONECT  101    9                                                      
CONECT  102   10                                                      
CONECT  103   10                                                      
CONECT  104   11                                                      
CONECT  105   11                                                      
CONECT  106   12                                                      
CONECT  107   12                                                      
CONECT  108   13                                                      
CONECT  109   13                                                      
CONECT  110   14                                                      
CONECT  111   14                                                      
CONECT  112   16                                                      
CONECT  113   16                                                      
CONECT  114   17                                                      
CONECT  115   17                                                      
CONECT  116   18                                                      
CONECT  117   18                                                      
CONECT  118   19                                                      
CONECT  119   19                                                      
CONECT  120   20                                                      
CONECT  121   20                                                      
CONECT  122   21                                                      
CONECT  123   21                                                      
CONECT  124   23                                                      
CONECT  125   23                                                      
CONECT  126   24                                                      
CONECT  127   24                                                      
CONECT  128   25                                                      
CONECT  129   25                                                      
CONECT  130   26                                                      
CONECT  131   26                                                      
CONECT  132   27                                                      
CONECT  133   27                                                      
CONECT  134   29                                                      
CONECT  135   30                                                      
CONECT  136   30                                                      
CONECT  137   31                                                      
CONECT  138   31                                                      
CONECT  139   33                                                      
CONECT  140   34                                                      
CONECT  141   34                                                      
CONECT  142   35                                                      
CONECT  143   35                                                      
CONECT  144   37                                                      
CONECT  145   37                                                      
CONECT  146   38                                                      
CONECT  147   38                                                      
CONECT  148   39                                                      
CONECT  149   39                                                      
CONECT  150   40                                                      
CONECT  151   40                                                      
CONECT  152   41                                                      
CONECT  153   41                                                      
CONECT  154   43                                                      
CONECT  155   44                                                      
CONECT  156   44                                                      
CONECT  157   45                                                      
CONECT  158   45                                                      
CONECT  159   46                                                      
CONECT  160   46                                                      
CONECT  161   47                                                      
CONECT  162   47                                                      
CONECT  163   49                                                      
CONECT  164   49                                                      
CONECT  165   50                                                      
CONECT  166   50                                                      
CONECT  167   51                                                      
CONECT  168   51                                                      
CONECT  169   58                                                      
CONECT  170   59                                                      
CONECT  171   60                                                      
CONECT  172   61                                                      
CONECT  173   62                                                      
CONECT  174   63                                                      
CONECT  175   64                                                      
CONECT  176   78                                                      
CONECT  177   79                                                      
CONECT  178   82                                                      
CONECT  179   83                                                      
MASTER        0    0    0    0    0    0    0    0  179    0  179    0
END
