COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -11.039 -31.177  34.548  1.00  0.00           O  
HETATM    2  C   UNL     1     -11.160 -31.475  33.368  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.674 -32.862  32.965  1.00  0.00           C  
HETATM    4  C   UNL     1     -10.924 -34.036  33.631  1.00  0.00           C  
HETATM    5  C   UNL     1     -11.747 -35.359  33.685  1.00  0.00           C  
HETATM    6  C   UNL     1     -12.016 -35.970  32.302  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.126 -36.395  34.651  1.00  0.00           C  
HETATM    8  C   UNL     1     -12.084 -37.469  35.215  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.588 -38.897  34.939  1.00  0.00           C  
HETATM   10  C   UNL     1     -12.218 -40.062  35.745  1.00  0.00           C  
HETATM   11  O   UNL     1     -13.362 -40.606  35.065  1.00  0.00           O  
HETATM   12  C   UNL     1     -13.060 -41.463  33.954  1.00  0.00           C  
HETATM   13  C   UNL     1     -12.200 -37.291  36.721  1.00  0.00           C  
HETATM   14  C   UNL     1     -13.169 -38.308  37.314  1.00  0.00           C  
HETATM   15  C   UNL     1     -12.569 -39.707  37.203  1.00  0.00           C  
HETATM   16  O   UNL     1     -13.465 -40.680  37.768  1.00  0.00           O  
HETATM   17  C   UNL     1     -12.802 -41.822  38.317  1.00  0.00           C  
HETATM   18  C   UNL     1     -13.626 -43.055  37.999  1.00  0.00           C  
HETATM   19  O   UNL     1     -13.323 -43.408  36.648  1.00  0.00           O  
HETATM   20  C   UNL     1     -10.793 -30.441  32.322  1.00  0.00           C  
HETATM   21  C   UNL     1      -9.409 -29.847  32.637  1.00  0.00           C  
HETATM   22  C   UNL     1     -11.733 -29.249  32.171  1.00  0.00           C  
HETATM   23  C   UNL     1     -13.081 -29.165  32.387  1.00  0.00           C  
HETATM   24  C   UNL     1     -13.908 -30.372  32.818  1.00  0.00           C  
HETATM   25  C   UNL     1     -13.772 -27.805  32.116  1.00  0.00           C  
HETATM   26  O   UNL     1     -14.976 -27.594  32.899  1.00  0.00           O  
HETATM   27  C   UNL     1     -12.920 -26.517  32.292  1.00  0.00           C  
HETATM   28  O   UNL     1     -13.785 -25.578  32.970  1.00  0.00           O  
HETATM   29  C   UNL     1     -13.962 -25.739  34.374  1.00  0.00           C  
HETATM   30  C   UNL     1     -12.418 -25.925  30.952  1.00  0.00           C  
HETATM   31  O   UNL     1     -13.242 -25.397  30.226  1.00  0.00           O  
HETATM   32  C   UNL     1     -10.979 -25.903  30.420  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.157 -24.980  31.325  1.00  0.00           C  
HETATM   34  C   UNL     1     -10.839 -25.419  28.940  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.236 -26.356  27.761  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.001 -25.646  26.631  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.100 -27.494  28.255  1.00  0.00           C  
HETATM   38  C   UNL     1     -11.780 -28.783  28.336  1.00  0.00           C  
HETATM   39  C   UNL     1     -10.517 -29.411  27.940  1.00  0.00           C  
HETATM   40  C   UNL     1     -10.366 -30.722  28.115  1.00  0.00           C  
HETATM   41  C   UNL     1     -11.485 -31.490  28.669  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.526 -32.816  28.818  1.00  0.00           C  
HETATM   43  C   UNL     1     -12.778 -33.434  29.378  1.00  0.00           C  
HETATM   44  C   UNL     1     -10.405 -33.730  28.441  1.00  0.00           C  
HETATM   45  O   UNL     1     -10.985 -34.718  27.584  1.00  0.00           O  
HETATM   46  C   UNL     1     -11.075 -34.337  26.210  1.00  0.00           C  
HETATM   47  C   UNL     1      -9.774 -34.351  29.688  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.646 -35.873  29.618  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.296 -36.328  30.931  1.00  0.00           O  
HETATM   50  C   UNL     1      -8.589 -36.233  28.565  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.167 -37.687  28.652  1.00  0.00           C  
HETATM   52  C   UNL     1      -7.759 -38.009  30.085  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.195 -39.430  30.207  1.00  0.00           C  
HETATM   54  C   UNL     1      -8.928 -37.709  31.045  1.00  0.00           C  
HETATM   55  O   UNL     1     -10.097 -38.474  30.708  1.00  0.00           O  
HETATM   56  C   UNL     1      -8.519 -38.049  32.473  1.00  0.00           C  
HETATM   57  O   UNL     1      -9.168 -38.892  33.070  1.00  0.00           O  
HETATM   58  C   UNL     1      -7.348 -37.440  33.142  1.00  0.00           C  
HETATM   59  O   UNL     1      -6.230 -37.885  32.896  1.00  0.00           O  
HETATM   60  N   UNL     1      -7.506 -36.430  34.026  1.00  0.00           N  
HETATM   61  C   UNL     1      -7.298 -35.023  33.629  1.00  0.00           C  
HETATM   62  C   UNL     1      -8.485 -34.104  33.829  1.00  0.00           C  
HETATM   63  O   UNL     1      -8.457 -33.253  34.696  1.00  0.00           O  
HETATM   64  O   UNL     1      -9.663 -34.208  32.966  1.00  0.00           O  
HETATM   65  C   UNL     1      -7.790 -36.577  35.447  1.00  0.00           C  
HETATM   66  C   UNL     1      -6.421 -36.400  36.083  1.00  0.00           C  
HETATM   67  C   UNL     1      -5.860 -35.007  35.810  1.00  0.00           C  
HETATM   68  C   UNL     1      -6.046 -34.515  34.378  1.00  0.00           C  
HETATM   69  H   UNL     1     -12.736 -32.930  33.243  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.573 -32.963  31.874  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.727 -33.742  34.672  1.00  0.00           H  
HETATM   72  H   UNL     1     -12.728 -35.093  34.105  1.00  0.00           H  
HETATM   73  H   UNL     1     -12.598 -36.896  32.417  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.583 -35.254  31.689  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.059 -36.197  31.809  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.321 -36.915  34.111  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.701 -35.845  35.503  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.076 -37.339  34.757  1.00  0.00           H  
HETATM   79  H   UNL     1     -11.767 -39.104  33.874  1.00  0.00           H  
HETATM   80  H   UNL     1     -10.506 -38.910  35.139  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.454 -40.852  35.794  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.996 -41.825  33.505  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.486 -40.901  33.203  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.465 -42.320  34.303  1.00  0.00           H  
HETATM   85  H   UNL     1     -11.209 -37.429  37.178  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.566 -36.276  36.937  1.00  0.00           H  
HETATM   87  H   UNL     1     -13.349 -38.069  38.373  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.120 -38.272  36.763  1.00  0.00           H  
HETATM   89  H   UNL     1     -11.632 -39.714  37.779  1.00  0.00           H  
HETATM   90  H   UNL     1     -11.801 -41.920  37.872  1.00  0.00           H  
HETATM   91  H   UNL     1     -12.709 -41.709  39.407  1.00  0.00           H  
HETATM   92  H   UNL     1     -14.698 -42.833  38.102  1.00  0.00           H  
HETATM   93  H   UNL     1     -13.355 -43.878  38.677  1.00  0.00           H  
HETATM   94  H   UNL     1     -13.819 -44.180  36.403  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.728 -30.948  31.348  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.679 -30.661  32.759  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.094 -29.193  31.811  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.464 -29.262  33.567  1.00  0.00           H  
HETATM   99  H   UNL     1     -11.263 -28.333  31.844  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.246 -31.239  32.961  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.424 -30.145  33.763  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.651 -30.603  32.041  1.00  0.00           H  
HETATM  103  H   UNL     1     -14.074 -27.825  31.058  1.00  0.00           H  
HETATM  104  H   UNL     1     -15.538 -28.356  32.827  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.050 -26.753  32.922  1.00  0.00           H  
HETATM  106  H   UNL     1     -14.640 -24.959  34.750  1.00  0.00           H  
HETATM  107  H   UNL     1     -14.394 -26.730  34.578  1.00  0.00           H  
HETATM  108  H   UNL     1     -12.988 -25.653  34.879  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.565 -26.920  30.489  1.00  0.00           H  
HETATM  110  H   UNL     1     -10.249 -25.313  32.369  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.100 -25.015  31.021  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.531 -23.949  31.234  1.00  0.00           H  
HETATM  113  H   UNL     1      -9.781 -25.158  28.792  1.00  0.00           H  
HETATM  114  H   UNL     1     -11.457 -24.514  28.845  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.312 -26.778  27.338  1.00  0.00           H  
HETATM  116  H   UNL     1     -11.398 -24.810  26.248  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.197 -26.359  25.817  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.955 -25.261  27.020  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.095 -27.229  28.581  1.00  0.00           H  
HETATM  120  H   UNL     1     -12.536 -29.440  28.739  1.00  0.00           H  
HETATM  121  H   UNL     1      -9.721 -28.819  27.513  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.438 -31.210  27.854  1.00  0.00           H  
HETATM  123  H   UNL     1     -12.355 -30.933  28.985  1.00  0.00           H  
HETATM  124  H   UNL     1     -13.507 -32.643  29.607  1.00  0.00           H  
HETATM  125  H   UNL     1     -13.208 -34.126  28.639  1.00  0.00           H  
HETATM  126  H   UNL     1     -12.535 -33.985  30.298  1.00  0.00           H  
HETATM  127  H   UNL     1      -9.636 -33.160  27.899  1.00  0.00           H  
HETATM  128  H   UNL     1     -11.531 -35.154  25.632  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.696 -33.433  26.120  1.00  0.00           H  
HETATM  130  H   UNL     1     -10.067 -34.130  25.820  1.00  0.00           H  
HETATM  131  H   UNL     1      -8.769 -33.923  29.818  1.00  0.00           H  
HETATM  132  H   UNL     1     -10.397 -34.094  30.557  1.00  0.00           H  
HETATM  133  H   UNL     1     -10.613 -36.299  29.312  1.00  0.00           H  
HETATM  134  H   UNL     1      -7.705 -35.597  28.719  1.00  0.00           H  
HETATM  135  H   UNL     1      -9.006 -36.044  27.565  1.00  0.00           H  
HETATM  136  H   UNL     1      -9.007 -38.332  28.356  1.00  0.00           H  
HETATM  137  H   UNL     1      -7.315 -37.863  27.979  1.00  0.00           H  
HETATM  138  H   UNL     1      -6.945 -37.318  30.350  1.00  0.00           H  
HETATM  139  H   UNL     1      -6.913 -39.625  31.252  1.00  0.00           H  
HETATM  140  H   UNL     1      -7.959 -40.156  29.892  1.00  0.00           H  
HETATM  141  H   UNL     1      -6.308 -39.529  29.563  1.00  0.00           H  
HETATM  142  H   UNL     1     -10.338 -39.026  31.443  1.00  0.00           H  
HETATM  143  H   UNL     1      -7.055 -35.011  32.556  1.00  0.00           H  
HETATM  144  H   UNL     1      -8.491 -35.803  35.793  1.00  0.00           H  
HETATM  145  H   UNL     1      -8.204 -37.572  35.668  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.509 -36.544  37.170  1.00  0.00           H  
HETATM  147  H   UNL     1      -5.733 -37.151  35.668  1.00  0.00           H  
HETATM  148  H   UNL     1      -4.782 -35.022  36.030  1.00  0.00           H  
HETATM  149  H   UNL     1      -6.362 -34.297  36.484  1.00  0.00           H  
HETATM  150  H   UNL     1      -5.163 -34.826  33.801  1.00  0.00           H  
HETATM  151  H   UNL     1      -6.097 -33.417  34.407  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   20    3    1    1                                       
CONECT    3    2    4   69   70                                       
CONECT    4    3   64    5   71                                       
CONECT    5    6    4    7   72                                       
CONECT    6    5   73   74   75                                       
CONECT    7    5    8   76   77                                       
CONECT    8    7    9   13   78                                       
CONECT    9    8   10   79   80                                       
CONECT   10    9   11   15   81                                       
CONECT   11   12   10                                                 
CONECT   12   11   82   83   84                                       
CONECT   13    8   14   85   86                                       
CONECT   14   13   15   87   88                                       
CONECT   15   10   14   16   89                                       
CONECT   16   15   17                                                 
CONECT   17   16   18   90   91                                       
CONECT   18   19   17   92   93                                       
CONECT   19   18   94                                                 
CONECT   20   22   21    2   95                                       
CONECT   21   20   96   97   98                                       
CONECT   22   20   23   23   99                                       
CONECT   23   25   22   22   24                                       
CONECT   24   23  100  101  102                                       
CONECT   25   27   23   26  103                                       
CONECT   26   25  104                                                 
CONECT   27   30   25   28  105                                       
CONECT   28   27   29                                                 
CONECT   29   28  106  107  108                                       
CONECT   30   31   31   32   27                                       
CONECT   31   30   30                                                 
CONECT   32   34   30   33  109                                       
CONECT   33   32  110  111  112                                       
CONECT   34   35   32  113  114                                       
CONECT   35   36   37   34  115                                       
CONECT   36   35  116  117  118                                       
CONECT   37   35   38   38  119                                       
CONECT   38   39   37   37  120                                       
CONECT   39   40   40   38  121                                       
CONECT   40   39   39   41  122                                       
CONECT   41   40   42   42  123                                       
CONECT   42   44   41   41   43                                       
CONECT   43   42  124  125  126                                       
CONECT   44   45   42   47  127                                       
CONECT   45   46   44                                                 
CONECT   46   45  128  129  130                                       
CONECT   47   44   48  131  132                                       
CONECT   48   50   47   49  133                                       
CONECT   49   48   54                                                 
CONECT   50   51   48  134  135                                       
CONECT   51   50   52  136  137                                       
CONECT   52   51   53   54  138                                       
CONECT   53   52  139  140  141                                       
CONECT   54   52   55   49   56                                       
CONECT   55   54  142                                                 
CONECT   56   54   57   57   58                                       
CONECT   57   56   56                                                 
CONECT   58   56   59   59   60                                       
CONECT   59   58   58                                                 
CONECT   60   58   61   65                                            
CONECT   61   62   60   68  143                                       
CONECT   62   64   61   63   63                                       
CONECT   63   62   62                                                 
CONECT   64    4   62                                                 
CONECT   65   60   66  144  145                                       
CONECT   66   65   67  146  147                                       
CONECT   67   68   66  148  149                                       
CONECT   68   61   67  150  151                                       
CONECT   69    3                                                      
CONECT   70    3                                                      
CONECT   71    4                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    6                                                      
CONECT   76    7                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81   10                                                      
CONECT   82   12                                                      
CONECT   83   12                                                      
CONECT   84   12                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   20                                                      
CONECT   96   21                                                      
CONECT   97   21                                                      
CONECT   98   21                                                      
CONECT   99   22                                                      
CONECT  100   24                                                      
CONECT  101   24                                                      
CONECT  102   24                                                      
CONECT  103   25                                                      
CONECT  104   26                                                      
CONECT  105   27                                                      
CONECT  106   29                                                      
CONECT  107   29                                                      
CONECT  108   29                                                      
CONECT  109   32                                                      
CONECT  110   33                                                      
CONECT  111   33                                                      
CONECT  112   33                                                      
CONECT  113   34                                                      
CONECT  114   34                                                      
CONECT  115   35                                                      
CONECT  116   36                                                      
CONECT  117   36                                                      
CONECT  118   36                                                      
CONECT  119   37                                                      
CONECT  120   38                                                      
CONECT  121   39                                                      
CONECT  122   40                                                      
CONECT  123   41                                                      
CONECT  124   43                                                      
CONECT  125   43                                                      
CONECT  126   43                                                      
CONECT  127   44                                                      
CONECT  128   46                                                      
CONECT  129   46                                                      
CONECT  130   46                                                      
CONECT  131   47                                                      
CONECT  132   47                                                      
CONECT  133   48                                                      
CONECT  134   50                                                      
CONECT  135   50                                                      
CONECT  136   51                                                      
CONECT  137   51                                                      
CONECT  138   52                                                      
CONECT  139   53                                                      
CONECT  140   53                                                      
CONECT  141   53                                                      
CONECT  142   55                                                      
CONECT  143   61                                                      
CONECT  144   65                                                      
CONECT  145   65                                                      
CONECT  146   66                                                      
CONECT  147   66                                                      
CONECT  148   67                                                      
CONECT  149   67                                                      
CONECT  150   68                                                      
CONECT  151   68                                                      
MASTER        0    0    0    0    0    0    0    0  151    0  151    0
END
