COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -13.802   1.919  -0.948  1.00  0.00           O  
HETATM    2  C   UNL     1     -12.770   1.384  -0.595  1.00  0.00           C  
HETATM    3  C   UNL     1     -11.529   2.088  -0.262  1.00  0.00           C  
HETATM    4  O   UNL     1     -12.600   0.057  -0.445  1.00  0.00           O  
HETATM    5  C   UNL     1     -11.229  -0.165  -0.012  1.00  0.00           C  
HETATM    6  C   UNL     1     -10.596   1.204   0.085  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.179   1.510   0.495  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.877   0.878   1.867  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.183   0.871  -0.509  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.948   1.776  -0.539  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.776   1.067  -1.212  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.799   0.706  -1.900  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.860  -0.486   0.140  1.00  0.00           C  
HETATM   14  C   UNL     1      -7.743  -0.148   1.640  1.00  0.00           C  
HETATM   15  O   UNL     1      -8.964  -1.372  -0.055  1.00  0.00           O  
HETATM   16  C   UNL     1      -6.609  -1.123  -0.412  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.257  -2.387   0.377  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.412  -0.171  -0.386  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.199  -0.856  -1.018  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.002   0.096  -0.990  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.521  -1.227  -2.468  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.861  -2.126  -0.234  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.039  -3.061  -0.257  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.530  -1.755   1.213  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.332  -0.805   1.235  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.674   0.462   0.459  1.00  0.00           C  
HETATM   27  C   UNL     1       0.055  -1.018   1.161  1.00  0.00           C  
HETATM   28  C   UNL     1       4.969   0.665   0.350  1.00  0.00           C  
HETATM   29  C   UNL     1      10.039  -0.198  -0.733  1.00  0.00           C  
HETATM   30  C   UNL     1       1.178  -1.854   0.542  1.00  0.00           C  
HETATM   31  C   UNL     1       6.144   1.438   0.955  1.00  0.00           C  
HETATM   32  C   UNL     1      11.048  -0.524  -1.838  1.00  0.00           C  
HETATM   33  C   UNL     1       2.526  -1.349   1.063  1.00  0.00           C  
HETATM   34  C   UNL     1       7.322   1.409  -0.023  1.00  0.00           C  
HETATM   35  C   UNL     1      12.454  -0.581  -1.234  1.00  0.00           C  
HETATM   36  C   UNL     1       2.662   0.141   0.736  1.00  0.00           C  
HETATM   37  C   UNL     1       7.681  -0.048  -0.331  1.00  0.00           C  
HETATM   38  C   UNL     1      12.757   0.753  -0.546  1.00  0.00           C  
HETATM   39  C   UNL     1       1.482   0.900   1.348  1.00  0.00           C  
HETATM   40  C   UNL     1       6.447  -0.763  -0.887  1.00  0.00           C  
HETATM   41  C   UNL     1      11.683   1.030   0.509  1.00  0.00           C  
HETATM   42  C   UNL     1       1.578   2.380   0.975  1.00  0.00           C  
HETATM   43  C   UNL     1       6.780  -2.235  -1.140  1.00  0.00           C  
HETATM   44  C   UNL     1      11.945   2.391   1.159  1.00  0.00           C  
HETATM   45  O   UNL     1      -1.204  -1.447   0.637  1.00  0.00           O  
HETATM   46  O   UNL     1       2.592  -1.536   2.478  1.00  0.00           O  
HETATM   47  O   UNL     1       6.956   2.076  -1.233  1.00  0.00           O  
HETATM   48  O   UNL     1      12.520  -1.639  -0.275  1.00  0.00           O  
HETATM   49  O   UNL     1       3.885   0.640   1.281  1.00  0.00           O  
HETATM   50  O   UNL     1       8.732  -0.088  -1.299  1.00  0.00           O  
HETATM   51  O   UNL     1      14.038   0.686   0.083  1.00  0.00           O  
HETATM   52  O   UNL     1       0.258   0.360   0.845  1.00  0.00           O  
HETATM   53  O   UNL     1       5.379  -0.673   0.059  1.00  0.00           O  
HETATM   54  O   UNL     1      10.397   1.040  -0.114  1.00  0.00           O  
HETATM   55  H   UNL     1     -11.392   3.158  -0.294  1.00  0.00           H  
HETATM   56  H   UNL     1     -11.217  -0.650   0.964  1.00  0.00           H  
HETATM   57  H   UNL     1     -10.698  -0.777  -0.741  1.00  0.00           H  
HETATM   58  H   UNL     1      -9.027   2.589   0.538  1.00  0.00           H  
HETATM   59  H   UNL     1      -8.550   1.646   2.568  1.00  0.00           H  
HETATM   60  H   UNL     1      -9.765   0.376   2.251  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.183   2.685  -1.092  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.670   2.038   0.481  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.061   0.764  -2.220  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.920   1.742  -1.261  1.00  0.00           H  
HETATM   65  H   UNL     1      -9.201   1.661  -2.235  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.034   0.367  -2.598  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.602  -0.031  -1.856  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.773   0.297   1.859  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.904  -1.039   2.248  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.876  -2.218   0.406  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.793  -1.404  -1.449  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.029  -2.120   1.409  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.103  -3.074   0.358  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.192   0.114   0.643  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.140  -0.390  -1.446  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.245   1.001  -1.547  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.762  -0.324  -3.028  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.657  -1.715  -2.919  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.374  -1.905  -2.488  1.00  0.00           H  
HETATM   80  H   UNL     1      -3.000  -2.615  -0.689  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.796  -3.964   0.302  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.274  -3.324  -1.289  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.391  -1.265   1.668  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.288  -2.659   1.773  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.096  -0.542   2.266  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.821   1.139   0.474  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.533   0.949   0.919  1.00  0.00           H  
HETATM   88  H   UNL     1       0.060  -1.148   2.244  1.00  0.00           H  
HETATM   89  H   UNL     1       4.647   1.155  -0.570  1.00  0.00           H  
HETATM   90  H   UNL     1      10.047  -0.993   0.013  1.00  0.00           H  
HETATM   91  H   UNL     1       1.048  -2.901   0.819  1.00  0.00           H  
HETATM   92  H   UNL     1       1.146  -1.758  -0.544  1.00  0.00           H  
HETATM   93  H   UNL     1       5.847   2.470   1.137  1.00  0.00           H  
HETATM   94  H   UNL     1       6.440   0.973   1.896  1.00  0.00           H  
HETATM   95  H   UNL     1      10.802  -1.489  -2.281  1.00  0.00           H  
HETATM   96  H   UNL     1      11.011   0.249  -2.605  1.00  0.00           H  
HETATM   97  H   UNL     1       3.333  -1.903   0.583  1.00  0.00           H  
HETATM   98  H   UNL     1       8.181   1.910   0.424  1.00  0.00           H  
HETATM   99  H   UNL     1      13.184  -0.758  -2.024  1.00  0.00           H  
HETATM  100  H   UNL     1       2.662   0.278  -0.346  1.00  0.00           H  
HETATM  101  H   UNL     1       8.008  -0.544   0.583  1.00  0.00           H  
HETATM  102  H   UNL     1      12.756   1.553  -1.286  1.00  0.00           H  
HETATM  103  H   UNL     1       1.507   0.796   2.433  1.00  0.00           H  
HETATM  104  H   UNL     1       6.144  -0.293  -1.822  1.00  0.00           H  
HETATM  105  H   UNL     1      11.712   0.252   1.271  1.00  0.00           H  
HETATM  106  H   UNL     1       1.484   2.490  -0.105  1.00  0.00           H  
HETATM  107  H   UNL     1       0.778   2.932   1.468  1.00  0.00           H  
HETATM  108  H   UNL     1       2.542   2.774   1.297  1.00  0.00           H  
HETATM  109  H   UNL     1       7.015  -2.722  -0.194  1.00  0.00           H  
HETATM  110  H   UNL     1       5.924  -2.728  -1.600  1.00  0.00           H  
HETATM  111  H   UNL     1       7.640  -2.303  -1.807  1.00  0.00           H  
HETATM  112  H   UNL     1      11.915   3.169   0.396  1.00  0.00           H  
HETATM  113  H   UNL     1      11.180   2.588   1.910  1.00  0.00           H  
HETATM  114  H   UNL     1      12.926   2.384   1.633  1.00  0.00           H  
HETATM  115  H   UNL     1       2.513  -2.458   2.757  1.00  0.00           H  
HETATM  116  H   UNL     1       6.709   3.003  -1.111  1.00  0.00           H  
HETATM  117  H   UNL     1      12.338  -2.515  -0.642  1.00  0.00           H  
HETATM  118  H   UNL     1      14.296   1.499   0.539  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3    6    6    2   55                                       
CONECT    4    5    2                                                 
CONECT    5    6    4   56   57                                       
CONECT    6    7    5    3    3                                       
CONECT    7    9    8    6   58                                       
CONECT    8   14    7   59   60                                       
CONECT    9   13   10   12    7                                       
CONECT   10   11    9   61   62                                       
CONECT   11   18   10   63   64                                       
CONECT   12    9   65   66   67                                       
CONECT   13   16   14   15    9                                       
CONECT   14   13    8   68   69                                       
CONECT   15   13   70                                                 
CONECT   16   17   18   13   71                                       
CONECT   17   23   16   72   73                                       
CONECT   18   19   16   11   74                                       
CONECT   19   22   20   21   18                                       
CONECT   20   26   19   75   76                                       
CONECT   21   19   77   78   79                                       
CONECT   22   24   23   19   80                                       
CONECT   23   22   17   81   82                                       
CONECT   24   25   22   83   84                                       
CONECT   25   45   24   26   85                                       
CONECT   26   25   20   86   87                                       
CONECT   27   30   52   45   88                                       
CONECT   28   53   31   49   89                                       
CONECT   29   32   54   50   90                                       
CONECT   30   33   27   91   92                                       
CONECT   31   34   28   93   94                                       
CONECT   32   35   29   95   96                                       
CONECT   33   46   36   30   97                                       
CONECT   34   37   47   31   98                                       
CONECT   35   48   38   32   99                                       
CONECT   36   49   33   39  100                                       
CONECT   37   50   40   34  101                                       
CONECT   38   51   35   41  102                                       
CONECT   39   36   42   52  103                                       
CONECT   40   43   37   53  104                                       
CONECT   41   38   44   54  105                                       
CONECT   42   39  106  107  108                                       
CONECT   43   40  109  110  111                                       
CONECT   44   41  112  113  114                                       
CONECT   45   27   25                                                 
CONECT   46   33  115                                                 
CONECT   47   34  116                                                 
CONECT   48   35  117                                                 
CONECT   49   28   36                                                 
CONECT   50   29   37                                                 
CONECT   51   38  118                                                 
CONECT   52   39   27                                                 
CONECT   53   40   28                                                 
CONECT   54   41   29                                                 
CONECT   55    3                                                      
CONECT   56    5                                                      
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60    8                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   12                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   23                                                      
CONECT   82   23                                                      
CONECT   83   24                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   26                                                      
CONECT   88   27                                                      
CONECT   89   28                                                      
CONECT   90   29                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   34                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   38                                                      
CONECT  103   39                                                      
CONECT  104   40                                                      
CONECT  105   41                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   42                                                      
CONECT  109   43                                                      
CONECT  110   43                                                      
CONECT  111   43                                                      
CONECT  112   44                                                      
CONECT  113   44                                                      
CONECT  114   44                                                      
CONECT  115   46                                                      
CONECT  116   47                                                      
CONECT  117   48                                                      
CONECT  118   51                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
