COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       8.127  -2.509   1.896  1.00  0.00           C  
HETATM    2  C   UNL     1       6.819  -3.302   1.986  1.00  0.00           C  
HETATM    3  C   UNL     1       6.683  -4.184   0.741  1.00  0.00           C  
HETATM    4  C   UNL     1       6.743  -3.302  -0.509  1.00  0.00           C  
HETATM    5  C   UNL     1       8.131  -1.692   0.602  1.00  0.00           C  
HETATM    6  C   UNL     1       1.809  -0.619  -1.214  1.00  0.00           C  
HETATM    7  C   UNL     1       0.570  -1.420  -0.811  1.00  0.00           C  
HETATM    8  C   UNL     1       5.231   1.400  -0.914  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.543  -0.125  -0.493  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.782  -0.927  -0.090  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.025  -0.045  -0.221  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.264  -0.847   0.181  1.00  0.00           C  
HETATM   13  C   UNL     1     -10.508   0.035   0.049  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.229  -0.687   0.724  1.00  0.00           C  
HETATM   15  C   UNL     1     -15.454   0.182   0.594  1.00  0.00           C  
HETATM   16  C   UNL     1     -15.877   0.945   1.666  1.00  0.00           C  
HETATM   17  C   UNL     1     -16.997   1.746   1.545  1.00  0.00           C  
HETATM   18  O   UNL     1       9.419  -0.091  -0.671  1.00  0.00           O  
HETATM   19  O   UNL     1       9.234  -3.413   1.894  1.00  0.00           O  
HETATM   20  C   UNL     1       9.460  -0.943   0.476  1.00  0.00           C  
HETATM   21  C   UNL     1       5.473  -1.674  -1.726  1.00  0.00           C  
HETATM   22  C   UNL     1       4.274  -0.732  -1.605  1.00  0.00           C  
HETATM   23  C   UNL     1       3.035  -1.534  -1.202  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.913  -1.340  -0.540  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.137  -0.472  -0.670  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.747  -0.767   0.452  1.00  0.00           C  
HETATM   27  C   UNL     1     -12.990   0.115   0.321  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.674  -0.538  -0.943  1.00  0.00           C  
HETATM   29  N   UNL     1       4.551   0.283  -0.586  1.00  0.00           N  
HETATM   30  O   UNL     1       6.838  -4.124   3.155  1.00  0.00           O  
HETATM   31  C   UNL     1       8.721   9.094   1.436  1.00  0.00           C  
HETATM   32  C   UNL     1       8.431   8.033   0.371  1.00  0.00           C  
HETATM   33  C   UNL     1       7.653   6.877   1.002  1.00  0.00           C  
HETATM   34  C   UNL     1       7.363   5.817  -0.063  1.00  0.00           C  
HETATM   35  C   UNL     1       6.584   4.660   0.568  1.00  0.00           C  
HETATM   36  C   UNL     1       6.295   3.600  -0.496  1.00  0.00           C  
HETATM   37  C   UNL     1       5.516   2.444   0.134  1.00  0.00           C  
HETATM   38  O   UNL     1       5.612   1.564  -2.054  1.00  0.00           O  
HETATM   39  O   UNL     1       5.643  -2.390  -0.501  1.00  0.00           O  
HETATM   40  O   UNL     1       7.970  -2.569  -0.514  1.00  0.00           O  
HETATM   41  O   UNL     1       5.432  -4.874   0.779  1.00  0.00           O  
HETATM   42  O   UNL     1       2.839  -2.605  -2.128  1.00  0.00           O  
HETATM   43  O   UNL     1       2.005   0.452  -0.288  1.00  0.00           O  
HETATM   44  O   UNL     1      -3.030   0.676  -1.047  1.00  0.00           O  
HETATM   45  N   UNL     1      -4.352  -0.970  -0.366  1.00  0.00           N  
HETATM   46  C   UNL     1     -17.694   1.784   0.352  1.00  0.00           C  
HETATM   47  C   UNL     1     -17.271   1.022  -0.721  1.00  0.00           C  
HETATM   48  C   UNL     1     -16.151   0.220  -0.600  1.00  0.00           C  
HETATM   49  H   UNL     1       8.206  -1.838   2.751  1.00  0.00           H  
HETATM   50  H   UNL     1       5.977  -2.612   2.038  1.00  0.00           H  
HETATM   51  H   UNL     1       7.498  -4.907   0.716  1.00  0.00           H  
HETATM   52  H   UNL     1       6.690  -3.929  -1.399  1.00  0.00           H  
HETATM   53  H   UNL     1       7.310  -0.975   0.622  1.00  0.00           H  
HETATM   54  H   UNL     1       1.669  -0.212  -2.215  1.00  0.00           H  
HETATM   55  H   UNL     1       0.470  -2.288  -1.463  1.00  0.00           H  
HETATM   56  H   UNL     1       0.672  -1.752   0.222  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.645   0.207  -1.526  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.444   0.743   0.160  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.881  -1.795  -0.742  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.680  -1.259   0.944  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.926   0.823   0.431  1.00  0.00           H  
HETATM   62  H   UNL     1      -8.127   0.287  -1.255  1.00  0.00           H  
HETATM   63  H   UNL     1      -9.364  -1.714  -0.471  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.162  -1.179   1.215  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.408   0.903   0.702  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.610   0.367  -0.984  1.00  0.00           H  
HETATM   67  H   UNL     1     -14.127  -1.018   1.757  1.00  0.00           H  
HETATM   68  H   UNL     1     -14.328  -1.554   0.071  1.00  0.00           H  
HETATM   69  H   UNL     1     -15.332   0.915   2.598  1.00  0.00           H  
HETATM   70  H   UNL     1     -17.328   2.342   2.383  1.00  0.00           H  
HETATM   71  H   UNL     1      10.230   0.415  -0.813  1.00  0.00           H  
HETATM   72  H   UNL     1       9.293  -3.964   2.687  1.00  0.00           H  
HETATM   73  H   UNL     1       9.625  -0.342   1.370  1.00  0.00           H  
HETATM   74  H   UNL     1      10.272  -1.662   0.366  1.00  0.00           H  
HETATM   75  H   UNL     1       5.300  -2.380  -2.539  1.00  0.00           H  
HETATM   76  H   UNL     1       6.372  -1.093  -1.936  1.00  0.00           H  
HETATM   77  H   UNL     1       4.096  -0.245  -2.564  1.00  0.00           H  
HETATM   78  H   UNL     1       3.175  -1.941  -0.200  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.811  -1.672   0.493  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.012  -2.208  -1.192  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.846  -1.634  -0.200  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.645  -1.099   1.486  1.00  0.00           H  
HETATM   83  H   UNL     1     -13.092   0.447  -0.713  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.891   0.983   0.973  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.574   0.329  -0.291  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.776  -0.206  -1.976  1.00  0.00           H  
HETATM   87  H   UNL     1       4.246   0.151   0.326  1.00  0.00           H  
HETATM   88  H   UNL     1       6.042  -4.661   3.271  1.00  0.00           H  
HETATM   89  H   UNL     1       9.313   8.651   2.237  1.00  0.00           H  
HETATM   90  H   UNL     1       9.275   9.917   0.986  1.00  0.00           H  
HETATM   91  H   UNL     1       7.781   9.467   1.842  1.00  0.00           H  
HETATM   92  H   UNL     1       7.839   8.476  -0.430  1.00  0.00           H  
HETATM   93  H   UNL     1       9.371   7.660  -0.035  1.00  0.00           H  
HETATM   94  H   UNL     1       8.244   6.435   1.803  1.00  0.00           H  
HETATM   95  H   UNL     1       6.713   7.251   1.408  1.00  0.00           H  
HETATM   96  H   UNL     1       6.771   6.259  -0.864  1.00  0.00           H  
HETATM   97  H   UNL     1       8.303   5.443  -0.469  1.00  0.00           H  
HETATM   98  H   UNL     1       7.176   4.218   1.369  1.00  0.00           H  
HETATM   99  H   UNL     1       5.644   5.034   0.974  1.00  0.00           H  
HETATM  100  H   UNL     1       5.703   4.042  -1.298  1.00  0.00           H  
HETATM  101  H   UNL     1       7.235   3.227  -0.903  1.00  0.00           H  
HETATM  102  H   UNL     1       4.576   2.817   0.540  1.00  0.00           H  
HETATM  103  H   UNL     1       6.108   2.002   0.936  1.00  0.00           H  
HETATM  104  H   UNL     1       5.279  -5.452   0.019  1.00  0.00           H  
HETATM  105  H   UNL     1       2.783  -2.322  -3.051  1.00  0.00           H  
HETATM  106  H   UNL     1       2.137   0.163   0.625  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.438  -1.888  -0.064  1.00  0.00           H  
HETATM  108  H   UNL     1     -18.570   2.409   0.258  1.00  0.00           H  
HETATM  109  H   UNL     1     -17.815   1.051  -1.653  1.00  0.00           H  
HETATM  110  H   UNL     1     -15.818  -0.373  -1.439  1.00  0.00           H  
CONECT    1    2   19    5   49                                       
CONECT    2   30    3    1   50                                       
CONECT    3   41    2    4   51                                       
CONECT    4    3   39   40   52                                       
CONECT    5    1   40   20   53                                       
CONECT    6   43    7   23   54                                       
CONECT    7   28    6   55   56                                       
CONECT    8   29   37   38   38                                       
CONECT    9   10   45   57   58                                       
CONECT   10   11    9   59   60                                       
CONECT   11   12   10   61   62                                       
CONECT   12   13   11   63   64                                       
CONECT   13   26   12   65   66                                       
CONECT   14   27   15   67   68                                       
CONECT   15   16   16   48   14                                       
CONECT   16   17   15   15   69                                       
CONECT   17   46   46   16   70                                       
CONECT   18   20   71                                                 
CONECT   19    1   72                                                 
CONECT   20    5   18   73   74                                       
CONECT   21   22   39   75   76                                       
CONECT   22   23   29   21   77                                       
CONECT   23    6   42   22   78                                       
CONECT   24   25   28   79   80                                       
CONECT   25   45   44   44   24                                       
CONECT   26   27   13   81   82                                       
CONECT   27   26   14   83   84                                       
CONECT   28   24    7   85   86                                       
CONECT   29   22    8   87                                            
CONECT   30    2   88                                                 
CONECT   31   32   89   90   91                                       
CONECT   32   31   33   92   93                                       
CONECT   33   32   34   94   95                                       
CONECT   34   33   35   96   97                                       
CONECT   35   34   36   98   99                                       
CONECT   36   35   37  100  101                                       
CONECT   37   36    8  102  103                                       
CONECT   38    8    8                                                 
CONECT   39    4   21                                                 
CONECT   40    4    5                                                 
CONECT   41    3  104                                                 
CONECT   42   23  105                                                 
CONECT   43    6  106                                                 
CONECT   44   25   25                                                 
CONECT   45    9   25  107                                            
CONECT   46   17   17   47  108                                       
CONECT   47   46   48   48  109                                       
CONECT   48   47   47   15  110                                       
CONECT   49    1                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    9                                                      
CONECT   58    9                                                      
CONECT   59   10                                                      
CONECT   60   10                                                      
CONECT   61   11                                                      
CONECT   62   11                                                      
CONECT   63   12                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   18                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   22                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   26                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   28                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   33                                                      
CONECT   95   33                                                      
CONECT   96   34                                                      
CONECT   97   34                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   36                                                      
CONECT  102   37                                                      
CONECT  103   37                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   43                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   47                                                      
CONECT  110   48                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
