COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.198  -5.011  -3.341  1.00  0.00           C  
HETATM    2  C   UNL     1       1.580  -6.472  -4.716  1.00  0.00           C  
HETATM    3  C   UNL     1       0.448  -7.379  -2.805  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.697  -5.329   1.431  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.026  -4.363   2.572  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.112  -3.332   1.997  1.00  0.00           C  
HETATM    7  C   UNL     1       0.623  -5.543  -0.558  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.720  -2.005   1.537  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.246  -2.093   1.605  1.00  0.00           C  
HETATM   10  C   UNL     1       1.631  -4.793  -1.431  1.00  0.00           C  
HETATM   11  C   UNL     1       2.170  -5.735  -2.511  1.00  0.00           C  
HETATM   12  C   UNL     1       0.269  -3.934   3.265  1.00  0.00           C  
HETATM   13  O   UNL     1       0.247  -4.720   0.548  1.00  0.00           O  
HETATM   14  O   UNL     1       4.495  -5.346  -3.245  1.00  0.00           O  
HETATM   15  O   UNL     1       2.856  -4.133  -4.096  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.854  -0.767   1.145  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.380  -0.855   1.213  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.989   0.472   0.754  1.00  0.00           C  
HETATM   19  C   UNL     1       2.416  -2.954   2.844  1.00  0.00           C  
HETATM   20  C   UNL     1       3.192  -2.170   1.784  1.00  0.00           C  
HETATM   21  C   UNL     1       4.469  -1.600   2.405  1.00  0.00           C  
HETATM   22  C   UNL     1       5.245  -0.816   1.344  1.00  0.00           C  
HETATM   23  C   UNL     1       6.521  -0.245   1.965  1.00  0.00           C  
HETATM   24  C   UNL     1       7.298   0.539   0.905  1.00  0.00           C  
HETATM   25  C   UNL     1       8.574   1.109   1.525  1.00  0.00           C  
HETATM   26  C   UNL     1       0.059  -5.105  -3.462  1.00  0.00           C  
HETATM   27  N   UNL     1       1.064  -6.173  -3.374  1.00  0.00           N1+
HETATM   28  O   UNL     1       3.180  -4.092   3.250  1.00  0.00           O  
HETATM   29  O   UNL     1      -1.689  -3.212   2.045  1.00  0.00           O  
HETATM   30  O   UNL     1       1.169  -3.388   2.298  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.472  -4.365   1.077  1.00  0.00           O  
HETATM   32  H   UNL     1       0.793  -6.932  -5.313  1.00  0.00           H  
HETATM   33  H   UNL     1       1.907  -5.549  -5.194  1.00  0.00           H  
HETATM   34  H   UNL     1       2.424  -7.158  -4.636  1.00  0.00           H  
HETATM   35  H   UNL     1       1.219  -8.002  -2.351  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.281  -7.092  -2.047  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.051  -7.939  -3.596  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.273  -6.245   1.842  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.609  -5.565   0.882  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.676  -4.859   3.292  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.489  -3.580   2.989  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.261  -5.783  -1.149  1.00  0.00           H  
HETATM   43  H   UNL     1       1.075  -6.463  -0.189  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.373  -1.202   2.188  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.413  -1.801   0.512  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.593  -2.897   0.955  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.553  -2.298   2.631  1.00  0.00           H  
HETATM   48  H   UNL     1       1.141  -3.942  -1.903  1.00  0.00           H  
HETATM   49  H   UNL     1       2.457  -4.441  -0.812  1.00  0.00           H  
HETATM   50  H   UNL     1       2.629  -6.603  -2.039  1.00  0.00           H  
HETATM   51  H   UNL     1       0.044  -3.179   4.018  1.00  0.00           H  
HETATM   52  H   UNL     1       0.729  -4.798   3.743  1.00  0.00           H  
HETATM   53  H   UNL     1       5.117  -4.854  -3.797  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.508   0.036   1.796  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.547  -0.562   0.120  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.727  -1.658   0.563  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.687  -1.060   2.239  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.642   1.275   1.404  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.682   0.676  -0.272  1.00  0.00           H  
HETATM   60  H   UNL     1       2.231  -2.314   3.707  1.00  0.00           H  
HETATM   61  H   UNL     1       3.454  -2.835   0.961  1.00  0.00           H  
HETATM   62  H   UNL     1       2.573  -1.354   1.411  1.00  0.00           H  
HETATM   63  H   UNL     1       4.207  -0.936   3.228  1.00  0.00           H  
HETATM   64  H   UNL     1       5.087  -2.416   2.779  1.00  0.00           H  
HETATM   65  H   UNL     1       5.506  -1.480   0.521  1.00  0.00           H  
HETATM   66  H   UNL     1       4.626   0.000   0.971  1.00  0.00           H  
HETATM   67  H   UNL     1       6.260   0.419   2.789  1.00  0.00           H  
HETATM   68  H   UNL     1       7.140  -1.061   2.339  1.00  0.00           H  
HETATM   69  H   UNL     1       7.559  -0.125   0.081  1.00  0.00           H  
HETATM   70  H   UNL     1       6.679   1.355   0.531  1.00  0.00           H  
HETATM   71  H   UNL     1       8.312   1.773   2.349  1.00  0.00           H  
HETATM   72  H   UNL     1       9.193   0.293   1.899  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.615  -5.308  -4.294  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.511  -5.065  -2.534  1.00  0.00           H  
HETATM   75  H   UNL     1       0.558  -4.149  -3.624  1.00  0.00           H  
HETATM   76  H   UNL     1       3.382  -4.707   2.532  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.168  -4.210   0.173  1.00  0.00           H  
HETATM   78  C   UNL     1       9.350   1.893   0.465  1.00  0.00           C  
HETATM   79  C   UNL     1      10.627   2.464   1.086  1.00  0.00           C  
HETATM   80  C   UNL     1      11.403   3.248   0.026  1.00  0.00           C  
HETATM   81  C   UNL     1      12.680   3.819   0.646  1.00  0.00           C  
HETATM   82  C   UNL     1      13.456   4.602  -0.414  1.00  0.00           C  
HETATM   83  C   UNL     1      14.733   5.173   0.206  1.00  0.00           C  
HETATM   84  C   UNL     1      15.509   5.957  -0.854  1.00  0.00           C  
HETATM   85  C   UNL     1      16.786   6.528  -0.233  1.00  0.00           C  
HETATM   86  C   UNL     1      17.562   7.312  -1.293  1.00  0.00           C  
HETATM   87  C   UNL     1      18.838   7.882  -0.673  1.00  0.00           C  
HETATM   88  C   UNL     1      19.615   8.666  -1.733  1.00  0.00           C  
HETATM   89  C   UNL     1      -9.515   0.383   0.821  1.00  0.00           C  
HETATM   90  C   UNL     1     -10.123   1.710   0.362  1.00  0.00           C  
HETATM   91  C   UNL     1     -11.649   1.622   0.429  1.00  0.00           C  
HETATM   92  C   UNL     1     -12.257   2.948  -0.030  1.00  0.00           C  
HETATM   93  C   UNL     1     -13.783   2.860   0.037  1.00  0.00           C  
HETATM   94  C   UNL     1     -14.392   4.187  -0.422  1.00  0.00           C  
HETATM   95  C   UNL     1     -15.918   4.098  -0.354  1.00  0.00           C  
HETATM   96  C   UNL     1     -16.526   5.425  -0.814  1.00  0.00           C  
HETATM   97  C   UNL     1     -18.052   5.337  -0.746  1.00  0.00           C  
HETATM   98  C   UNL     1     -18.660   6.663  -1.206  1.00  0.00           C  
HETATM   99  C   UNL     1     -20.186   6.575  -1.138  1.00  0.00           C  
HETATM  100  C   UNL     1     -20.795   7.902  -1.598  1.00  0.00           C  
HETATM  101  H   UNL     1       9.612   1.229  -0.359  1.00  0.00           H  
HETATM  102  H   UNL     1       8.732   2.709   0.091  1.00  0.00           H  
HETATM  103  H   UNL     1      10.365   3.128   1.910  1.00  0.00           H  
HETATM  104  H   UNL     1      11.246   1.648   1.459  1.00  0.00           H  
HETATM  105  H   UNL     1      11.665   2.584  -0.798  1.00  0.00           H  
HETATM  106  H   UNL     1      10.785   4.064  -0.348  1.00  0.00           H  
HETATM  107  H   UNL     1      12.418   4.483   1.470  1.00  0.00           H  
HETATM  108  H   UNL     1      13.298   3.003   1.020  1.00  0.00           H  
HETATM  109  H   UNL     1      13.718   3.938  -1.238  1.00  0.00           H  
HETATM  110  H   UNL     1      12.837   5.418  -0.788  1.00  0.00           H  
HETATM  111  H   UNL     1      14.471   5.837   1.030  1.00  0.00           H  
HETATM  112  H   UNL     1      15.351   4.357   0.580  1.00  0.00           H  
HETATM  113  H   UNL     1      15.771   5.293  -1.678  1.00  0.00           H  
HETATM  114  H   UNL     1      14.890   6.773  -1.227  1.00  0.00           H  
HETATM  115  H   UNL     1      16.524   7.192   0.590  1.00  0.00           H  
HETATM  116  H   UNL     1      17.404   5.712   0.140  1.00  0.00           H  
HETATM  117  H   UNL     1      17.824   6.648  -2.117  1.00  0.00           H  
HETATM  118  H   UNL     1      16.943   8.128  -1.667  1.00  0.00           H  
HETATM  119  H   UNL     1      18.577   8.546   0.151  1.00  0.00           H  
HETATM  120  H   UNL     1      19.457   7.066  -0.299  1.00  0.00           H  
HETATM  121  H   UNL     1      19.876   8.002  -2.557  1.00  0.00           H  
HETATM  122  H   UNL     1      18.996   9.482  -2.107  1.00  0.00           H  
HETATM  123  H   UNL     1      20.524   9.073  -1.291  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.861  -0.420   0.171  1.00  0.00           H  
HETATM  125  H   UNL     1      -9.822   0.179   1.847  1.00  0.00           H  
HETATM  126  H   UNL     1      -9.776   2.513   1.012  1.00  0.00           H  
HETATM  127  H   UNL     1      -9.816   1.914  -0.664  1.00  0.00           H  
HETATM  128  H   UNL     1     -11.996   0.818  -0.221  1.00  0.00           H  
HETATM  129  H   UNL     1     -11.956   1.417   1.455  1.00  0.00           H  
HETATM  130  H   UNL     1     -11.911   3.752   0.620  1.00  0.00           H  
HETATM  131  H   UNL     1     -11.950   3.153  -1.056  1.00  0.00           H  
HETATM  132  H   UNL     1     -14.130   2.057  -0.613  1.00  0.00           H  
HETATM  133  H   UNL     1     -14.090   2.656   1.063  1.00  0.00           H  
HETATM  134  H   UNL     1     -14.045   4.990   0.228  1.00  0.00           H  
HETATM  135  H   UNL     1     -14.085   4.391  -1.448  1.00  0.00           H  
HETATM  136  H   UNL     1     -16.264   3.295  -1.005  1.00  0.00           H  
HETATM  137  H   UNL     1     -16.225   3.894   0.671  1.00  0.00           H  
HETATM  138  H   UNL     1     -16.179   6.228  -0.164  1.00  0.00           H  
HETATM  139  H   UNL     1     -16.219   5.630  -1.840  1.00  0.00           H  
HETATM  140  H   UNL     1     -18.399   4.534  -1.396  1.00  0.00           H  
HETATM  141  H   UNL     1     -18.359   5.132   0.279  1.00  0.00           H  
HETATM  142  H   UNL     1     -18.314   7.467  -0.556  1.00  0.00           H  
HETATM  143  H   UNL     1     -18.353   6.868  -2.231  1.00  0.00           H  
HETATM  144  H   UNL     1     -20.533   5.772  -1.788  1.00  0.00           H  
HETATM  145  H   UNL     1     -20.493   6.371  -0.112  1.00  0.00           H  
HETATM  146  H   UNL     1     -20.448   8.705  -0.947  1.00  0.00           H  
HETATM  147  H   UNL     1     -20.487   8.106  -2.623  1.00  0.00           H  
HETATM  148  H   UNL     1     -21.882   7.839  -1.549  1.00  0.00           H  
CONECT    1   15   15   11   14                                       
CONECT    2   27   32   33   34                                       
CONECT    3   27   35   36   37                                       
CONECT    4   13    5   38   39                                       
CONECT    5    4   12   29   40                                       
CONECT    6   29   31    8   41                                       
CONECT    7   13   10   42   43                                       
CONECT    8    6    9   44   45                                       
CONECT    9    8   16   46   47                                       
CONECT   10   11    7   48   49                                       
CONECT   11   27    1   10   50                                       
CONECT   12   30    5   51   52                                       
CONECT   13    4    7                                                 
CONECT   14    1   53                                                 
CONECT   15    1    1                                                 
CONECT   16    9   17   54   55                                       
CONECT   17   16   18   56   57                                       
CONECT   18   17   58   59   89                                       
CONECT   19   28   20   30   60                                       
CONECT   20   21   19   61   62                                       
CONECT   21   22   20   63   64                                       
CONECT   22   23   21   65   66                                       
CONECT   23   24   22   67   68                                       
CONECT   24   25   23   69   70                                       
CONECT   25   24   71   72   78                                       
CONECT   26   27   73   74   75                                       
CONECT   27    3    2   11   26                                       
CONECT   28   19   76                                                 
CONECT   29    5    6                                                 
CONECT   30   19   12                                                 
CONECT   31    6   77                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   12                                                      
CONECT   52   12                                                      
CONECT   53   14                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   18                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   24                                                      
CONECT   71   25                                                      
CONECT   72   25                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   28                                                      
CONECT   77   31                                                      
CONECT   78   25   79  101  102                                       
CONECT   79   78   80  103  104                                       
CONECT   80   79   81  105  106                                       
CONECT   81   80   82  107  108                                       
CONECT   82   81   83  109  110                                       
CONECT   83   82   84  111  112                                       
CONECT   84   83   85  113  114                                       
CONECT   85   84   86  115  116                                       
CONECT   86   85   87  117  118                                       
CONECT   87   86   88  119  120                                       
CONECT   88   87  121  122  123                                       
CONECT   89   18   90  124  125                                       
CONECT   90   89   91  126  127                                       
CONECT   91   90   92  128  129                                       
CONECT   92   91   93  130  131                                       
CONECT   93   92   94  132  133                                       
CONECT   94   93   95  134  135                                       
CONECT   95   94   96  136  137                                       
CONECT   96   95   97  138  139                                       
CONECT   97   96   98  140  141                                       
CONECT   98   97   99  142  143                                       
CONECT   99   98  100  144  145                                       
CONECT  100   99  146  147  148                                       
CONECT  101   78                                                      
CONECT  102   78                                                      
CONECT  103   79                                                      
CONECT  104   79                                                      
CONECT  105   80                                                      
CONECT  106   80                                                      
CONECT  107   81                                                      
CONECT  108   81                                                      
CONECT  109   82                                                      
CONECT  110   82                                                      
CONECT  111   83                                                      
CONECT  112   83                                                      
CONECT  113   84                                                      
CONECT  114   84                                                      
CONECT  115   85                                                      
CONECT  116   85                                                      
CONECT  117   86                                                      
CONECT  118   86                                                      
CONECT  119   87                                                      
CONECT  120   87                                                      
CONECT  121   88                                                      
CONECT  122   88                                                      
CONECT  123   88                                                      
CONECT  124   89                                                      
CONECT  125   89                                                      
CONECT  126   90                                                      
CONECT  127   90                                                      
CONECT  128   91                                                      
CONECT  129   91                                                      
CONECT  130   92                                                      
CONECT  131   92                                                      
CONECT  132   93                                                      
CONECT  133   93                                                      
CONECT  134   94                                                      
CONECT  135   94                                                      
CONECT  136   95                                                      
CONECT  137   95                                                      
CONECT  138   96                                                      
CONECT  139   96                                                      
CONECT  140   97                                                      
CONECT  141   97                                                      
CONECT  142   98                                                      
CONECT  143   98                                                      
CONECT  144   99                                                      
CONECT  145   99                                                      
CONECT  146  100                                                      
CONECT  147  100                                                      
CONECT  148  100                                                      
MASTER        0    0    0    0    0    0    0    0  148    0  148    0
END
