COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      21.342 -26.676 -46.187  1.00  0.00           C  
HETATM    2  C   UNL     1      22.432 -26.691 -47.264  1.00  0.00           C  
HETATM    3  C   UNL     1      23.582 -25.737 -46.858  1.00  0.00           C  
HETATM    4  C   UNL     1      24.060 -26.063 -45.424  1.00  0.00           C  
HETATM    5  C   UNL     1      25.146 -25.069 -44.988  1.00  0.00           C  
HETATM    6  C   UNL     1      26.190 -26.924 -43.619  1.00  0.00           C  
HETATM    7  C   UNL     1      25.999 -30.103 -43.173  1.00  0.00           C  
HETATM    8  C   UNL     1      25.399 -31.345 -41.100  1.00  0.00           C  
HETATM    9  C   UNL     1      25.001 -32.691 -38.924  1.00  0.00           C  
HETATM   10  C   UNL     1      23.933 -35.798 -36.815  1.00  0.00           C  
HETATM   11  C   UNL     1      24.708 -36.340 -35.610  1.00  0.00           C  
HETATM   12  C   UNL     1      24.846 -35.257 -34.520  1.00  0.00           C  
HETATM   13  C   UNL     1      27.030 -34.358 -35.278  1.00  0.00           C  
HETATM   14  C   UNL     1      27.510 -31.875 -34.713  1.00  0.00           C  
HETATM   15  C   UNL     1      25.778 -30.608 -33.467  1.00  0.00           C  
HETATM   16  C   UNL     1      21.079 -27.116 -42.376  1.00  0.00           C  
HETATM   17  C   UNL     1      25.113 -27.884 -44.133  1.00  0.00           C  
HETATM   18  C   UNL     1      25.620 -29.322 -44.403  1.00  0.00           C  
HETATM   19  C   UNL     1      24.831 -30.418 -42.245  1.00  0.00           C  
HETATM   20  C   UNL     1      24.419 -31.804 -39.983  1.00  0.00           C  
HETATM   21  C   UNL     1      24.296 -34.013 -38.640  1.00  0.00           C  
HETATM   22  C   UNL     1      24.850 -34.735 -37.407  1.00  0.00           C  
HETATM   23  C   UNL     1      20.765 -26.617 -43.766  1.00  0.00           C  
HETATM   24  C   UNL     1      25.547 -34.021 -35.116  1.00  0.00           C  
HETATM   25  C   UNL     1      27.866 -33.102 -35.566  1.00  0.00           C  
HETATM   26  C   UNL     1      25.993 -31.664 -34.528  1.00  0.00           C  
HETATM   27  C   UNL     1      25.050 -29.509 -33.686  1.00  0.00           C  
HETATM   28  C   UNL     1      21.905 -26.879 -44.771  1.00  0.00           C  
HETATM   29  C   UNL     1      24.391 -29.192 -35.008  1.00  0.00           C  
HETATM   30  C   UNL     1      22.868 -29.383 -34.966  1.00  0.00           C  
HETATM   31  C   UNL     1      22.436 -30.855 -34.840  1.00  0.00           C  
HETATM   32  C   UNL     1      20.900 -30.943 -34.744  1.00  0.00           C  
HETATM   33  C   UNL     1      20.449 -32.399 -34.490  1.00  0.00           C  
HETATM   34  C   UNL     1      18.918 -32.465 -34.613  1.00  0.00           C  
HETATM   35  C   UNL     1      18.439 -31.917 -35.970  1.00  0.00           C  
HETATM   36  C   UNL     1      18.937 -30.489 -36.222  1.00  0.00           C  
HETATM   37  C   UNL     1      18.488 -30.057 -37.655  1.00  0.00           C  
HETATM   38  C   UNL     1      19.483 -29.029 -38.271  1.00  0.00           C  
HETATM   39  C   UNL     1      19.447 -28.842 -39.810  1.00  0.00           C  
HETATM   40  C   UNL     1      20.240 -27.534 -40.078  1.00  0.00           C  
HETATM   41  C   UNL     1      19.743 -26.382 -39.176  1.00  0.00           C  
HETATM   42  C   UNL     1      19.906 -26.659 -37.667  1.00  0.00           C  
HETATM   43  C   UNL     1      19.387 -25.448 -36.842  1.00  0.00           C  
HETATM   44  C   UNL     1      19.423 -25.630 -35.337  1.00  0.00           C  
HETATM   45  C   UNL     1      20.733 -25.690 -34.583  1.00  0.00           C  
HETATM   46  C   UNL     1      21.804 -24.764 -35.192  1.00  0.00           C  
HETATM   47  C   UNL     1      21.391 -23.312 -35.063  1.00  0.00           C  
HETATM   48  C   UNL     1      21.243 -22.483 -36.112  1.00  0.00           C  
HETATM   49  C   UNL     1      20.475 -21.235 -36.078  1.00  0.00           C  
HETATM   50  C   UNL     1      20.352 -20.430 -37.154  1.00  0.00           C  
HETATM   51  C   UNL     1      22.429 -28.966 -48.222  1.00  0.00           C  
HETATM   52  C   UNL     1      22.780 -30.394 -47.906  1.00  0.00           C  
HETATM   53  C   UNL     1      26.845 -24.575 -43.221  1.00  0.00           C  
HETATM   54  C   UNL     1      27.274 -30.423 -42.901  1.00  0.00           C  
HETATM   55  C   UNL     1      23.531 -30.986 -42.873  1.00  0.00           C  
HETATM   56  C   UNL     1      27.105 -33.208 -41.171  1.00  0.00           C  
HETATM   57  C   UNL     1      27.026 -34.708 -41.203  1.00  0.00           C  
HETATM   58  C   UNL     1      23.714 -30.586 -39.358  1.00  0.00           C  
HETATM   59  C   UNL     1      24.740 -38.123 -34.041  1.00  0.00           C  
HETATM   60  C   UNL     1      21.150 -33.329 -35.488  1.00  0.00           C  
HETATM   61  C   UNL     1      20.158 -30.026 -40.512  1.00  0.00           C  
HETATM   62  C   UNL     1      18.281 -25.745 -34.663  1.00  0.00           C  
HETATM   63  C   UNL     1      25.665 -25.477 -43.598  1.00  0.00           C  
HETATM   64  O   UNL     1      22.210 -27.470 -42.071  1.00  0.00           O  
HETATM   65  O   UNL     1      24.580 -27.399 -45.370  1.00  0.00           O  
HETATM   66  O   UNL     1      26.018 -32.527 -41.668  1.00  0.00           O  
HETATM   67  O   UNL     1      25.998 -32.317 -38.335  1.00  0.00           O  
HETATM   68  O   UNL     1      24.093 -37.554 -35.165  1.00  0.00           O  
HETATM   69  O   UNL     1      25.020 -33.695 -36.416  1.00  0.00           O  
HETATM   70  O   UNL     1      27.767 -32.742 -36.961  1.00  0.00           O  
HETATM   71  O   UNL     1      25.358 -32.918 -34.192  1.00  0.00           O  
HETATM   72  O   UNL     1      20.357 -30.417 -35.975  1.00  0.00           O  
HETATM   73  O   UNL     1      18.359 -31.699 -33.542  1.00  0.00           O  
HETATM   74  O   UNL     1      18.268 -29.608 -35.319  1.00  0.00           O  
HETATM   75  O   UNL     1      17.177 -29.485 -37.617  1.00  0.00           O  
HETATM   76  O   UNL     1      20.063 -27.166 -41.467  1.00  0.00           O  
HETATM   77  O   UNL     1      20.414 -25.163 -39.536  1.00  0.00           O  
HETATM   78  O   UNL     1      19.153 -27.849 -37.488  1.00  0.00           O  
HETATM   79  O   UNL     1      23.053 -25.043 -34.574  1.00  0.00           O  
HETATM   80  O   UNL     1      22.939 -28.031 -47.385  1.00  0.00           O  
HETATM   81  O   UNL     1      21.731 -28.642 -49.179  1.00  0.00           O  
HETATM   82  O   UNL     1      28.110 -32.627 -40.756  1.00  0.00           O  
HETATM   83  O   UNL     1      22.956 -25.943 -44.525  1.00  0.00           O  
HETATM   84  O   UNL     1      24.624 -25.303 -42.629  1.00  0.00           O  
HETATM   85 CL   UNL     1      19.705 -20.811 -34.561  1.00  0.00          Cl  
HETATM   86  H   UNL     1      20.824 -25.706 -46.224  1.00  0.00           H  
HETATM   87  H   UNL     1      20.626 -27.483 -46.400  1.00  0.00           H  
HETATM   88  H   UNL     1      22.004 -26.352 -48.219  1.00  0.00           H  
HETATM   89  H   UNL     1      24.421 -25.860 -47.558  1.00  0.00           H  
HETATM   90  H   UNL     1      23.223 -24.698 -46.895  1.00  0.00           H  
HETATM   91  H   UNL     1      25.975 -25.086 -45.711  1.00  0.00           H  
HETATM   92  H   UNL     1      24.722 -24.055 -44.941  1.00  0.00           H  
HETATM   93  H   UNL     1      26.479 -27.218 -42.599  1.00  0.00           H  
HETATM   94  H   UNL     1      27.068 -26.980 -44.279  1.00  0.00           H  
HETATM   95  H   UNL     1      26.188 -30.764 -40.600  1.00  0.00           H  
HETATM   96  H   UNL     1      22.978 -35.355 -36.496  1.00  0.00           H  
HETATM   97  H   UNL     1      23.741 -36.597 -37.546  1.00  0.00           H  
HETATM   98  H   UNL     1      25.724 -36.575 -35.959  1.00  0.00           H  
HETATM   99  H   UNL     1      23.848 -34.973 -34.156  1.00  0.00           H  
HETATM  100  H   UNL     1      25.443 -35.651 -33.684  1.00  0.00           H  
HETATM  101  H   UNL     1      27.147 -35.064 -36.113  1.00  0.00           H  
HETATM  102  H   UNL     1      27.394 -34.824 -34.350  1.00  0.00           H  
HETATM  103  H   UNL     1      27.967 -31.999 -33.720  1.00  0.00           H  
HETATM  104  H   UNL     1      27.928 -30.981 -35.200  1.00  0.00           H  
HETATM  105  H   UNL     1      26.230 -30.747 -32.496  1.00  0.00           H  
HETATM  106  H   UNL     1      24.312 -27.939 -43.381  1.00  0.00           H  
HETATM  107  H   UNL     1      24.824 -29.872 -44.925  1.00  0.00           H  
HETATM  108  H   UNL     1      26.506 -29.256 -45.052  1.00  0.00           H  
HETATM  109  H   UNL     1      24.552 -29.472 -41.759  1.00  0.00           H  
HETATM  110  H   UNL     1      23.635 -32.388 -40.487  1.00  0.00           H  
HETATM  111  H   UNL     1      23.227 -33.812 -38.478  1.00  0.00           H  
HETATM  112  H   UNL     1      24.417 -34.669 -39.514  1.00  0.00           H  
HETATM  113  H   UNL     1      25.820 -35.189 -37.658  1.00  0.00           H  
HETATM  114  H   UNL     1      20.583 -25.533 -43.717  1.00  0.00           H  
HETATM  115  H   UNL     1      19.858 -27.125 -44.125  1.00  0.00           H  
HETATM  116  H   UNL     1      28.914 -33.354 -35.349  1.00  0.00           H  
HETATM  117  H   UNL     1      25.582 -31.291 -35.478  1.00  0.00           H  
HETATM  118  H   UNL     1      24.926 -28.809 -32.873  1.00  0.00           H  
HETATM  119  H   UNL     1      22.261 -27.914 -44.661  1.00  0.00           H  
HETATM  120  H   UNL     1      24.809 -29.856 -35.779  1.00  0.00           H  
HETATM  121  H   UNL     1      24.608 -28.146 -35.269  1.00  0.00           H  
HETATM  122  H   UNL     1      22.472 -28.829 -34.103  1.00  0.00           H  
HETATM  123  H   UNL     1      22.440 -28.973 -35.893  1.00  0.00           H  
HETATM  124  H   UNL     1      22.779 -31.413 -35.724  1.00  0.00           H  
HETATM  125  H   UNL     1      22.884 -31.291 -33.935  1.00  0.00           H  
HETATM  126  H   UNL     1      20.568 -30.324 -33.897  1.00  0.00           H  
HETATM  127  H   UNL     1      20.738 -32.687 -33.468  1.00  0.00           H  
HETATM  128  H   UNL     1      18.604 -33.516 -34.529  1.00  0.00           H  
HETATM  129  H   UNL     1      17.339 -31.917 -35.985  1.00  0.00           H  
HETATM  130  H   UNL     1      18.816 -32.571 -36.770  1.00  0.00           H  
HETATM  131  H   UNL     1      18.484 -30.952 -38.294  1.00  0.00           H  
HETATM  132  H   UNL     1      20.499 -29.355 -38.003  1.00  0.00           H  
HETATM  133  H   UNL     1      18.410 -28.746 -40.165  1.00  0.00           H  
HETATM  134  H   UNL     1      21.304 -27.716 -39.867  1.00  0.00           H  
HETATM  135  H   UNL     1      18.667 -26.259 -39.370  1.00  0.00           H  
HETATM  136  H   UNL     1      20.969 -26.824 -37.439  1.00  0.00           H  
HETATM  137  H   UNL     1      20.006 -24.574 -37.094  1.00  0.00           H  
HETATM  138  H   UNL     1      18.345 -25.257 -37.137  1.00  0.00           H  
HETATM  139  H   UNL     1      20.555 -25.387 -33.541  1.00  0.00           H  
HETATM  140  H   UNL     1      21.106 -26.725 -34.605  1.00  0.00           H  
HETATM  141  H   UNL     1      21.874 -25.000 -36.264  1.00  0.00           H  
HETATM  142  H   UNL     1      21.205 -22.921 -34.074  1.00  0.00           H  
HETATM  143  H   UNL     1      21.722 -22.755 -37.041  1.00  0.00           H  
HETATM  144  H   UNL     1      19.777 -19.519 -37.084  1.00  0.00           H  
HETATM  145  H   UNL     1      20.829 -20.697 -38.085  1.00  0.00           H  
HETATM  146  H   UNL     1      22.320 -31.059 -48.652  1.00  0.00           H  
HETATM  147  H   UNL     1      23.873 -30.517 -47.930  1.00  0.00           H  
HETATM  148  H   UNL     1      22.404 -30.651 -46.904  1.00  0.00           H  
HETATM  149  H   UNL     1      27.222 -24.860 -42.228  1.00  0.00           H  
HETATM  150  H   UNL     1      27.647 -24.691 -43.965  1.00  0.00           H  
HETATM  151  H   UNL     1      26.513 -23.527 -43.200  1.00  0.00           H  
HETATM  152  H   UNL     1      27.518 -30.933 -41.981  1.00  0.00           H  
HETATM  153  H   UNL     1      28.056 -30.171 -43.602  1.00  0.00           H  
HETATM  154  H   UNL     1      22.787 -31.160 -42.082  1.00  0.00           H  
HETATM  155  H   UNL     1      23.130 -30.265 -43.601  1.00  0.00           H  
HETATM  156  H   UNL     1      23.754 -31.935 -43.382  1.00  0.00           H  
HETATM  157  H   UNL     1      27.963 -35.133 -40.815  1.00  0.00           H  
HETATM  158  H   UNL     1      26.185 -35.044 -40.578  1.00  0.00           H  
HETATM  159  H   UNL     1      26.871 -35.045 -42.239  1.00  0.00           H  
HETATM  160  H   UNL     1      23.025 -30.925 -38.570  1.00  0.00           H  
HETATM  161  H   UNL     1      24.465 -29.911 -38.922  1.00  0.00           H  
HETATM  162  H   UNL     1      23.148 -30.051 -40.135  1.00  0.00           H  
HETATM  163  H   UNL     1      24.222 -39.049 -33.749  1.00  0.00           H  
HETATM  164  H   UNL     1      25.785 -38.352 -34.297  1.00  0.00           H  
HETATM  165  H   UNL     1      24.715 -37.410 -33.204  1.00  0.00           H  
HETATM  166  H   UNL     1      20.831 -34.367 -35.310  1.00  0.00           H  
HETATM  167  H   UNL     1      20.883 -33.034 -36.514  1.00  0.00           H  
HETATM  168  H   UNL     1      22.240 -33.253 -35.357  1.00  0.00           H  
HETATM  169  H   UNL     1      19.598 -30.954 -40.324  1.00  0.00           H  
HETATM  170  H   UNL     1      20.202 -29.837 -41.595  1.00  0.00           H  
HETATM  171  H   UNL     1      21.179 -30.127 -40.116  1.00  0.00           H  
HETATM  172  H   UNL     1      18.298 -25.879 -33.591  1.00  0.00           H  
HETATM  173  H   UNL     1      17.338 -25.704 -35.188  1.00  0.00           H  
HETATM  174  H   UNL     1      26.853 -32.643 -37.199  1.00  0.00           H  
HETATM  175  H   UNL     1      18.662 -32.047 -32.711  1.00  0.00           H  
HETATM  176  H   UNL     1      18.507 -29.828 -34.426  1.00  0.00           H  
HETATM  177  H   UNL     1      16.569 -30.111 -37.242  1.00  0.00           H  
HETATM  178  H   UNL     1      20.107 -24.456 -38.980  1.00  0.00           H  
HETATM  179  H   UNL     1      23.263 -25.963 -34.684  1.00  0.00           H  
HETATM  180  H   UNL     1      24.944 -25.555 -41.771  1.00  0.00           H  
CONECT    1    2   28   86   87                                       
CONECT    2   80    3    1   88                                       
CONECT    3    2    4   89   90                                       
CONECT    4    3   65    5   83                                       
CONECT    5    4   63   91   92                                       
CONECT    6   17   63   93   94                                       
CONECT    7   18   54   54   19                                       
CONECT    8   19   66   20   95                                       
CONECT    9   20   21   67   67                                       
CONECT   10   22   11   96   97                                       
CONECT   11   10   68   12   98                                       
CONECT   12   11   24   99  100                                       
CONECT   13   25   24  101  102                                       
CONECT   14   25   26  103  104                                       
CONECT   15   26   27   27  105                                       
CONECT   16   23   64   64   76                                       
CONECT   17   65   18    6  106                                       
CONECT   18   17    7  107  108                                       
CONECT   19    7   55    8  109                                       
CONECT   20    8   58    9  110                                       
CONECT   21    9   22  111  112                                       
CONECT   22   21   10   69  113                                       
CONECT   23   28   16  114  115                                       
CONECT   24   69   13   12   71                                       
CONECT   25   70   13   14  116                                       
CONECT   26   14   71   15  117                                       
CONECT   27   29   15   15  118                                       
CONECT   28    1   83   23  119                                       
CONECT   29   30   27  120  121                                       
CONECT   30   29   31  122  123                                       
CONECT   31   30   32  124  125                                       
CONECT   32   72   31   33  126                                       
CONECT   33   60   32   34  127                                       
CONECT   34   35   33   73  128                                       
CONECT   35   36   34  129  130                                       
CONECT   36   37   72   35   74                                       
CONECT   37   38   75   36  131                                       
CONECT   38   39   37   78  132                                       
CONECT   39   61   40   38  133                                       
CONECT   40   76   39   41  134                                       
CONECT   41   40   77   42  135                                       
CONECT   42   41   78   43  136                                       
CONECT   43   42   44  137  138                                       
CONECT   44   43   62   62   45                                       
CONECT   45   44   46  139  140                                       
CONECT   46   47   45   79  141                                       
CONECT   47   48   48   46  142                                       
CONECT   48   49   47   47  143                                       
CONECT   49   50   50   48   85                                       
CONECT   50   49   49  144  145                                       
CONECT   51   81   81   52   80                                       
CONECT   52   51  146  147  148                                       
CONECT   53   63  149  150  151                                       
CONECT   54    7    7  152  153                                       
CONECT   55   19  154  155  156                                       
CONECT   56   66   57   82   82                                       
CONECT   57   56  157  158  159                                       
CONECT   58   20  160  161  162                                       
CONECT   59   68  163  164  165                                       
CONECT   60   33  166  167  168                                       
CONECT   61   39  169  170  171                                       
CONECT   62   44   44  172  173                                       
CONECT   63    5    6   53   84                                       
CONECT   64   16   16                                                 
CONECT   65    4   17                                                 
CONECT   66   56    8                                                 
CONECT   67    9    9                                                 
CONECT   68   11   59                                                 
CONECT   69   22   24                                                 
CONECT   70   25  174                                                 
CONECT   71   24   26                                                 
CONECT   72   36   32                                                 
CONECT   73   34  175                                                 
CONECT   74   36  176                                                 
CONECT   75   37  177                                                 
CONECT   76   16   40                                                 
CONECT   77   41  178                                                 
CONECT   78   38   42                                                 
CONECT   79   46  179                                                 
CONECT   80   51    2                                                 
CONECT   81   51   51                                                 
CONECT   82   56   56                                                 
CONECT   83    4   28                                                 
CONECT   84   63  180                                                 
CONECT   85   49                                                      
CONECT   86    1                                                      
CONECT   87    1                                                      
CONECT   88    2                                                      
CONECT   89    3                                                      
CONECT   90    3                                                      
CONECT   91    5                                                      
CONECT   92    5                                                      
CONECT   93    6                                                      
CONECT   94    6                                                      
CONECT   95    8                                                      
CONECT   96   10                                                      
CONECT   97   10                                                      
CONECT   98   11                                                      
CONECT   99   12                                                      
CONECT  100   12                                                      
CONECT  101   13                                                      
CONECT  102   13                                                      
CONECT  103   14                                                      
CONECT  104   14                                                      
CONECT  105   15                                                      
CONECT  106   17                                                      
CONECT  107   18                                                      
CONECT  108   18                                                      
CONECT  109   19                                                      
CONECT  110   20                                                      
CONECT  111   21                                                      
CONECT  112   21                                                      
CONECT  113   22                                                      
CONECT  114   23                                                      
CONECT  115   23                                                      
CONECT  116   25                                                      
CONECT  117   26                                                      
CONECT  118   27                                                      
CONECT  119   28                                                      
CONECT  120   29                                                      
CONECT  121   29                                                      
CONECT  122   30                                                      
CONECT  123   30                                                      
CONECT  124   31                                                      
CONECT  125   31                                                      
CONECT  126   32                                                      
CONECT  127   33                                                      
CONECT  128   34                                                      
CONECT  129   35                                                      
CONECT  130   35                                                      
CONECT  131   37                                                      
CONECT  132   38                                                      
CONECT  133   39                                                      
CONECT  134   40                                                      
CONECT  135   41                                                      
CONECT  136   42                                                      
CONECT  137   43                                                      
CONECT  138   43                                                      
CONECT  139   45                                                      
CONECT  140   45                                                      
CONECT  141   46                                                      
CONECT  142   47                                                      
CONECT  143   48                                                      
CONECT  144   50                                                      
CONECT  145   50                                                      
CONECT  146   52                                                      
CONECT  147   52                                                      
CONECT  148   52                                                      
CONECT  149   53                                                      
CONECT  150   53                                                      
CONECT  151   53                                                      
CONECT  152   54                                                      
CONECT  153   54                                                      
CONECT  154   55                                                      
CONECT  155   55                                                      
CONECT  156   55                                                      
CONECT  157   57                                                      
CONECT  158   57                                                      
CONECT  159   57                                                      
CONECT  160   58                                                      
CONECT  161   58                                                      
CONECT  162   58                                                      
CONECT  163   59                                                      
CONECT  164   59                                                      
CONECT  165   59                                                      
CONECT  166   60                                                      
CONECT  167   60                                                      
CONECT  168   60                                                      
CONECT  169   61                                                      
CONECT  170   61                                                      
CONECT  171   61                                                      
CONECT  172   62                                                      
CONECT  173   62                                                      
CONECT  174   70                                                      
CONECT  175   73                                                      
CONECT  176   74                                                      
CONECT  177   75                                                      
CONECT  178   77                                                      
CONECT  179   79                                                      
CONECT  180   84                                                      
MASTER        0    0    0    0    0    0    0    0  180    0  180    0
END
