COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.740   1.518 -12.818  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.311   2.954 -12.659  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.135   1.212 -13.185  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.932   2.113 -13.356  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.561  -0.194 -13.342  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.625  -1.224 -13.140  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.233  -0.877 -12.780  1.00  0.00           C  
HETATM    8  O   UNL     1       0.588  -1.755 -12.608  1.00  0.00           O  
HETATM    9  C   UNL     1       0.152   0.537 -12.626  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.870  -0.509 -13.687  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.244  -1.837 -13.829  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.324  -2.848 -13.631  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.015  -2.550 -13.286  1.00  0.00           C  
HETATM   14  C   UNL     1       1.570   0.885 -12.254  1.00  0.00           C  
HETATM   15  C   UNL     1       1.693   0.952 -10.753  1.00  0.00           C  
HETATM   16  C   UNL     1       2.595   0.231 -10.137  1.00  0.00           C  
HETATM   17  C   UNL     1       3.588  -0.575 -10.934  1.00  0.00           C  
HETATM   18  C   UNL     1       2.642   0.207  -8.631  1.00  0.00           C  
HETATM   19  C   UNL     1       1.752  -0.924  -8.111  1.00  0.00           C  
HETATM   20  C   UNL     1       1.798  -0.947  -6.605  1.00  0.00           C  
HETATM   21  C   UNL     1       0.689  -0.851  -5.914  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.640  -0.842  -6.622  1.00  0.00           C  
HETATM   23  C   UNL     1       0.744  -0.750  -4.411  1.00  0.00           C  
HETATM   24  C   UNL     1       0.826   0.721  -4.002  1.00  0.00           C  
HETATM   25  C   UNL     1       0.880   0.822  -2.499  1.00  0.00           C  
HETATM   26  C   UNL     1       1.876   1.446  -1.921  1.00  0.00           C  
HETATM   27  C   UNL     1       2.901   2.169  -2.757  1.00  0.00           C  
HETATM   28  C   UNL     1       1.998   1.441  -0.419  1.00  0.00           C  
HETATM   29  C   UNL     1       2.832   0.237   0.021  1.00  0.00           C  
HETATM   30  C   UNL     1       2.954   0.232   1.523  1.00  0.00           C  
HETATM   31  C   UNL     1       2.602  -0.829   2.205  1.00  0.00           C  
HETATM   32  C   UNL     1       2.194  -2.087   1.483  1.00  0.00           C  
HETATM   33  C   UNL     1       2.605  -0.792   3.712  1.00  0.00           C  
HETATM   34  C   UNL     1       1.235  -0.330   4.213  1.00  0.00           C  
HETATM   35  C   UNL     1       1.239  -0.293   5.720  1.00  0.00           C  
HETATM   36  C   UNL     1       0.957   0.820   6.348  1.00  0.00           C  
HETATM   37  C   UNL     1       0.750   2.093   5.569  1.00  0.00           C  
HETATM   38  C   UNL     1       0.838   0.829   7.851  1.00  0.00           C  
HETATM   39  C   UNL     1       2.206   1.127   8.468  1.00  0.00           C  
HETATM   40  C   UNL     1       2.088   1.136   9.970  1.00  0.00           C  
HETATM   41  C   UNL     1       2.831   0.333  10.690  1.00  0.00           C  
HETATM   42  C   UNL     1       3.885  -0.516  10.027  1.00  0.00           C  
HETATM   43  C   UNL     1       2.633   0.258  12.183  1.00  0.00           C  
HETATM   44  C   UNL     1       1.600  -0.822  12.506  1.00  0.00           C  
HETATM   45  C   UNL     1       1.402  -0.897  13.998  1.00  0.00           C  
HETATM   46  C   UNL     1       0.211  -0.711  14.511  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.019  -0.938  15.983  1.00  0.00           C  
HETATM   48  C   UNL     1      -0.927  -0.269  13.629  1.00  0.00           C  
HETATM   49  C   UNL     1      -1.714  -1.495  13.160  1.00  0.00           C  
HETATM   50  C   UNL     1      -2.853  -1.053  12.278  1.00  0.00           C  
HETATM   51  C   UNL     1      -2.985  -1.558  11.076  1.00  0.00           C  
HETATM   52  C   UNL     1      -2.074  -2.668  10.621  1.00  0.00           C  
HETATM   53  C   UNL     1      -4.048  -1.028  10.149  1.00  0.00           C  
HETATM   54  C   UNL     1      -3.475   0.126   9.324  1.00  0.00           C  
HETATM   55  C   UNL     1      -4.538   0.656   8.396  1.00  0.00           C  
HETATM   56  C   UNL     1      -4.842   1.930   8.409  1.00  0.00           C  
HETATM   57  C   UNL     1      -5.988   2.439   7.573  1.00  0.00           C  
HETATM   58  C   UNL     1      -4.046   2.886   9.259  1.00  0.00           C  
HETATM   59  H   UNL     1      -1.160   3.610 -12.852  1.00  0.00           H  
HETATM   60  H   UNL     1       0.049   3.115 -11.643  1.00  0.00           H  
HETATM   61  H   UNL     1       0.487   3.176 -13.367  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.594   0.276 -13.844  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.261  -2.082 -14.097  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.627  -3.879 -13.744  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.300  -3.345 -13.132  1.00  0.00           H  
HETATM   66  H   UNL     1       1.832   1.852 -12.683  1.00  0.00           H  
HETATM   67  H   UNL     1       2.245   0.121 -12.639  1.00  0.00           H  
HETATM   68  H   UNL     1       1.036   1.596 -10.186  1.00  0.00           H  
HETATM   69  H   UNL     1       4.309  -1.034 -10.258  1.00  0.00           H  
HETATM   70  H   UNL     1       3.063  -1.354 -11.487  1.00  0.00           H  
HETATM   71  H   UNL     1       4.110   0.078 -11.633  1.00  0.00           H  
HETATM   72  H   UNL     1       2.282   1.159  -8.241  1.00  0.00           H  
HETATM   73  H   UNL     1       3.668   0.043  -8.301  1.00  0.00           H  
HETATM   74  H   UNL     1       2.111  -1.876  -8.500  1.00  0.00           H  
HETATM   75  H   UNL     1       0.726  -0.760  -8.440  1.00  0.00           H  
HETATM   76  H   UNL     1       2.745  -1.044  -6.095  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.722  -1.726  -7.254  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.444  -0.846  -5.885  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.717   0.053  -7.239  1.00  0.00           H  
HETATM   80  H   UNL     1       1.623  -1.279  -4.043  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.153  -1.197  -3.984  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.053   1.250  -4.370  1.00  0.00           H  
HETATM   83  H   UNL     1       1.723   1.168  -4.429  1.00  0.00           H  
HETATM   84  H   UNL     1       0.098   0.380  -1.900  1.00  0.00           H  
HETATM   85  H   UNL     1       2.399   2.884  -3.409  1.00  0.00           H  
HETATM   86  H   UNL     1       3.595   2.697  -2.104  1.00  0.00           H  
HETATM   87  H   UNL     1       3.449   1.448  -3.363  1.00  0.00           H  
HETATM   88  H   UNL     1       1.005   1.377   0.025  1.00  0.00           H  
HETATM   89  H   UNL     1       2.484   2.360  -0.091  1.00  0.00           H  
HETATM   90  H   UNL     1       3.825   0.300  -0.423  1.00  0.00           H  
HETATM   91  H   UNL     1       2.345  -0.681  -0.306  1.00  0.00           H  
HETATM   92  H   UNL     1       3.331   1.104   2.037  1.00  0.00           H  
HETATM   93  H   UNL     1       2.985  -2.385   0.796  1.00  0.00           H  
HETATM   94  H   UNL     1       2.024  -2.883   2.208  1.00  0.00           H  
HETATM   95  H   UNL     1       1.276  -1.904   0.924  1.00  0.00           H  
HETATM   96  H   UNL     1       3.371  -0.097   4.056  1.00  0.00           H  
HETATM   97  H   UNL     1       2.817  -1.788   4.099  1.00  0.00           H  
HETATM   98  H   UNL     1       0.469  -1.025   3.869  1.00  0.00           H  
HETATM   99  H   UNL     1       1.023   0.665   3.826  1.00  0.00           H  
HETATM  100  H   UNL     1       1.474  -1.185   6.282  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.132   1.993   4.937  1.00  0.00           H  
HETATM  102  H   UNL     1       0.609   2.924   6.260  1.00  0.00           H  
HETATM  103  H   UNL     1       1.623   2.284   4.945  1.00  0.00           H  
HETATM  104  H   UNL     1       0.490  -0.144   8.193  1.00  0.00           H  
HETATM  105  H   UNL     1       0.127   1.597   8.155  1.00  0.00           H  
HETATM  106  H   UNL     1       2.555   2.102   8.125  1.00  0.00           H  
HETATM  107  H   UNL     1       2.917   0.359   8.164  1.00  0.00           H  
HETATM  108  H   UNL     1       1.391   1.804  10.453  1.00  0.00           H  
HETATM  109  H   UNL     1       4.632   0.128   9.564  1.00  0.00           H  
HETATM  110  H   UNL     1       4.363  -1.150  10.773  1.00  0.00           H  
HETATM  111  H   UNL     1       3.420  -1.140   9.263  1.00  0.00           H  
HETATM  112  H   UNL     1       2.279   1.221  12.551  1.00  0.00           H  
HETATM  113  H   UNL     1       3.580   0.012  12.663  1.00  0.00           H  
HETATM  114  H   UNL     1       1.955  -1.785  12.138  1.00  0.00           H  
HETATM  115  H   UNL     1       0.654  -0.576  12.026  1.00  0.00           H  
HETATM  116  H   UNL     1       2.242  -1.103  14.645  1.00  0.00           H  
HETATM  117  H   UNL     1       0.913  -1.251  16.453  1.00  0.00           H  
HETATM  118  H   UNL     1      -0.365  -0.013  16.444  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.772  -1.715  16.117  1.00  0.00           H  
HETATM  120  H   UNL     1      -0.532   0.261  12.764  1.00  0.00           H  
HETATM  121  H   UNL     1      -1.587   0.391  14.191  1.00  0.00           H  
HETATM  122  H   UNL     1      -2.109  -2.026  14.026  1.00  0.00           H  
HETATM  123  H   UNL     1      -1.054  -2.156  12.598  1.00  0.00           H  
HETATM  124  H   UNL     1      -3.561  -0.320  12.637  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.389  -3.017   9.638  1.00  0.00           H  
HETATM  126  H   UNL     1      -1.050  -2.298  10.565  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.123  -3.493  11.333  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.895  -0.670  10.734  1.00  0.00           H  
HETATM  129  H   UNL     1      -4.377  -1.824   9.481  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.628  -0.231   8.738  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.146   0.922   9.991  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.049  -0.014   7.721  1.00  0.00           H  
HETATM  133  H   UNL     1      -6.089   3.516   7.712  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.795   2.225   6.522  1.00  0.00           H  
HETATM  135  H   UNL     1      -6.910   1.945   7.881  1.00  0.00           H  
HETATM  136  H   UNL     1      -2.989   2.802   9.008  1.00  0.00           H  
HETATM  137  H   UNL     1      -4.384   3.906   9.073  1.00  0.00           H  
HETATM  138  H   UNL     1      -4.190   2.642  10.312  1.00  0.00           H  
CONECT    1    2    3    9    9                                       
CONECT    2    1   59   60   61                                       
CONECT    3    1    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6   10                                       
CONECT    6    5    5    7   13                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    1    1    7   14                                       
CONECT   10    5   11   11   62                                       
CONECT   11   10   10   12   63                                       
CONECT   12   11   13   13   64                                       
CONECT   13    6   12   12   65                                       
CONECT   14    9   15   66   67                                       
CONECT   15   14   16   16   68                                       
CONECT   16   15   15   17   18                                       
CONECT   17   16   69   70   71                                       
CONECT   18   16   19   72   73                                       
CONECT   19   18   20   74   75                                       
CONECT   20   19   21   21   76                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   77   78   79                                       
CONECT   23   21   24   80   81                                       
CONECT   24   23   25   82   83                                       
CONECT   25   24   26   26   84                                       
CONECT   26   25   25   27   28                                       
CONECT   27   26   85   86   87                                       
CONECT   28   26   29   88   89                                       
CONECT   29   28   30   90   91                                       
CONECT   30   29   31   31   92                                       
CONECT   31   30   30   32   33                                       
CONECT   32   31   93   94   95                                       
CONECT   33   31   34   96   97                                       
CONECT   34   33   35   98   99                                       
CONECT   35   34   36   36  100                                       
CONECT   36   35   35   37   38                                       
CONECT   37   36  101  102  103                                       
CONECT   38   36   39  104  105                                       
CONECT   39   38   40  106  107                                       
CONECT   40   39   41   41  108                                       
CONECT   41   40   40   42   43                                       
CONECT   42   41  109  110  111                                       
CONECT   43   41   44  112  113                                       
CONECT   44   43   45  114  115                                       
CONECT   45   44   46   46  116                                       
CONECT   46   45   45   47   48                                       
CONECT   47   46  117  118  119                                       
CONECT   48   46   49  120  121                                       
CONECT   49   48   50  122  123                                       
CONECT   50   49   51   51  124                                       
CONECT   51   50   50   52   53                                       
CONECT   52   51  125  126  127                                       
CONECT   53   51   54  128  129                                       
CONECT   54   53   55  130  131                                       
CONECT   55   54   56   56  132                                       
CONECT   56   55   55   57   58                                       
CONECT   57   56  133  134  135                                       
CONECT   58   56  136  137  138                                       
CONECT   59    2                                                      
CONECT   60    2                                                      
CONECT   61    2                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   15                                                      
CONECT   69   17                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   18                                                      
CONECT   73   18                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   22                                                      
CONECT   78   22                                                      
CONECT   79   22                                                      
CONECT   80   23                                                      
CONECT   81   23                                                      
CONECT   82   24                                                      
CONECT   83   24                                                      
CONECT   84   25                                                      
CONECT   85   27                                                      
CONECT   86   27                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   29                                                      
CONECT   92   30                                                      
CONECT   93   32                                                      
CONECT   94   32                                                      
CONECT   95   32                                                      
CONECT   96   33                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   34                                                      
CONECT  100   35                                                      
CONECT  101   37                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   38                                                      
CONECT  106   39                                                      
CONECT  107   39                                                      
CONECT  108   40                                                      
CONECT  109   42                                                      
CONECT  110   42                                                      
CONECT  111   42                                                      
CONECT  112   43                                                      
CONECT  113   43                                                      
CONECT  114   44                                                      
CONECT  115   44                                                      
CONECT  116   45                                                      
CONECT  117   47                                                      
CONECT  118   47                                                      
CONECT  119   47                                                      
CONECT  120   48                                                      
CONECT  121   48                                                      
CONECT  122   49                                                      
CONECT  123   49                                                      
CONECT  124   50                                                      
CONECT  125   52                                                      
CONECT  126   52                                                      
CONECT  127   52                                                      
CONECT  128   53                                                      
CONECT  129   53                                                      
CONECT  130   54                                                      
CONECT  131   54                                                      
CONECT  132   55                                                      
CONECT  133   57                                                      
CONECT  134   57                                                      
CONECT  135   57                                                      
CONECT  136   58                                                      
CONECT  137   58                                                      
CONECT  138   58                                                      
MASTER        0    0    0    0    0    0    0    0  138    0  138    0
END
