COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.820   3.283   1.232  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.478   2.346   1.208  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.101   1.251   0.509  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.509   3.180  -0.883  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.140   2.761   0.555  1.00  0.00           C  
HETATM    6  C   UNL     1       2.079   1.963   0.486  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.743  -4.274  -0.276  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.965  -3.709  -1.315  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.832  -3.046  -1.001  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.225  -2.211   0.650  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.793  -0.541  -0.074  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.510   0.211  -1.363  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.613   2.325  -0.740  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.872   2.383   1.663  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.647   2.005   0.338  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.579   3.222   2.085  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.228   2.046  -1.641  1.00  0.00           C  
HETATM   18  C   UNL     1       3.101   0.857   0.443  1.00  0.00           C  
HETATM   19  C   UNL     1       4.506   1.462   0.415  1.00  0.00           C  
HETATM   20  C   UNL     1       5.544   0.338   0.371  1.00  0.00           C  
HETATM   21  C   UNL     1       6.949   0.943   0.344  1.00  0.00           C  
HETATM   22  C   UNL     1       7.987  -0.180   0.300  1.00  0.00           C  
HETATM   23  C   UNL     1       9.392   0.425   0.273  1.00  0.00           C  
HETATM   24  C   UNL     1      10.431  -0.698   0.229  1.00  0.00           C  
HETATM   25  C   UNL     1      11.835  -0.093   0.201  1.00  0.00           C  
HETATM   26  C   UNL     1      12.874  -1.216   0.158  1.00  0.00           C  
HETATM   27  C   UNL     1      14.279  -0.612   0.130  1.00  0.00           C  
HETATM   28  C   UNL     1      15.317  -1.735   0.086  1.00  0.00           C  
HETATM   29  C   UNL     1      16.722  -1.130   0.059  1.00  0.00           C  
HETATM   30  C   UNL     1      17.760  -2.253   0.015  1.00  0.00           C  
HETATM   31  C   UNL     1      19.165  -1.648  -0.012  1.00  0.00           C  
HETATM   32  C   UNL     1      20.203  -2.771  -0.056  1.00  0.00           C  
HETATM   33  C   UNL     1      -2.978   0.363  -1.557  1.00  0.00           C  
HETATM   34  C   UNL     1      -2.737   0.384  -3.010  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.942  -1.829  -0.017  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.984  -2.967   0.111  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.203  -3.472   1.288  1.00  0.00           C  
HETATM   38  N   UNL     1      -7.455  -2.931   0.309  1.00  0.00           N  
HETATM   39  N   UNL     1      -2.351   3.524   1.228  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.444   1.535  -0.904  1.00  0.00           N  
HETATM   41  N   UNL     1      -9.340  -4.133   1.003  1.00  0.00           N  
HETATM   42  O   UNL     1     -10.769  -4.877  -0.534  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.173  -0.940  -0.034  1.00  0.00           O  
HETATM   44  O   UNL     1      -5.253   1.291  -1.623  1.00  0.00           O  
HETATM   45  O   UNL     1      -4.429   2.844  -0.115  1.00  0.00           O  
HETATM   46  O   UNL     1      -6.766   2.988   2.534  1.00  0.00           O  
HETATM   47  O   UNL     1      -7.787   2.799   0.220  1.00  0.00           O  
HETATM   48  O   UNL     1       0.627   3.535  -1.599  1.00  0.00           O  
HETATM   49  O   UNL     1       0.770   1.666   0.515  1.00  0.00           O  
HETATM   50  O   UNL     1       2.437   3.117   0.493  1.00  0.00           O  
HETATM   51  O   UNL     1      -2.877   1.411  -3.631  1.00  0.00           O  
HETATM   52  O   UNL     1      -2.363  -0.738  -3.645  1.00  0.00           O  
HETATM   53  O   UNL     1      -3.081  -1.809   1.123  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.545  -3.957   1.043  1.00  0.00           O  
HETATM   55  O   UNL     1      -7.852  -3.353   2.446  1.00  0.00           O  
HETATM   56  H   UNL     1      -5.145   4.307   1.097  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.291   2.088   2.283  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.496   0.361   0.502  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.074   0.929   0.947  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.193   4.024  -0.910  1.00  0.00           H  
HETATM   61  H   UNL     1       0.273   3.564   1.107  1.00  0.00           H  
HETATM   62  H   UNL     1      -9.274  -3.807  -2.345  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.226  -2.608  -1.781  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.150  -2.070   1.728  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.566   0.093   0.783  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.839  -0.648  -2.154  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.012   3.212  -1.347  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.498   1.467   2.114  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.946   0.912   0.276  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.625   3.934   2.864  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.455   2.247   2.467  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.506   2.333  -2.560  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.553   1.138  -1.728  1.00  0.00           H  
HETATM   74  H   UNL     1       2.994   0.228   1.327  1.00  0.00           H  
HETATM   75  H   UNL     1       2.947   0.254  -0.453  1.00  0.00           H  
HETATM   76  H   UNL     1       4.614   2.090  -0.469  1.00  0.00           H  
HETATM   77  H   UNL     1       4.660   2.064   1.310  1.00  0.00           H  
HETATM   78  H   UNL     1       5.437  -0.290   1.255  1.00  0.00           H  
HETATM   79  H   UNL     1       5.390  -0.264  -0.524  1.00  0.00           H  
HETATM   80  H   UNL     1       7.057   1.572  -0.540  1.00  0.00           H  
HETATM   81  H   UNL     1       7.103   1.546   1.239  1.00  0.00           H  
HETATM   82  H   UNL     1       7.880  -0.809   1.184  1.00  0.00           H  
HETATM   83  H   UNL     1       7.833  -0.782  -0.595  1.00  0.00           H  
HETATM   84  H   UNL     1       9.500   1.054  -0.611  1.00  0.00           H  
HETATM   85  H   UNL     1       9.546   1.027   1.168  1.00  0.00           H  
HETATM   86  H   UNL     1      10.323  -1.327   1.113  1.00  0.00           H  
HETATM   87  H   UNL     1      10.277  -1.301  -0.666  1.00  0.00           H  
HETATM   88  H   UNL     1      11.943   0.535  -0.683  1.00  0.00           H  
HETATM   89  H   UNL     1      11.989   0.509   1.097  1.00  0.00           H  
HETATM   90  H   UNL     1      12.766  -1.845   1.041  1.00  0.00           H  
HETATM   91  H   UNL     1      12.720  -1.819  -0.738  1.00  0.00           H  
HETATM   92  H   UNL     1      14.386   0.017  -0.754  1.00  0.00           H  
HETATM   93  H   UNL     1      14.432  -0.009   1.025  1.00  0.00           H  
HETATM   94  H   UNL     1      15.209  -2.363   0.970  1.00  0.00           H  
HETATM   95  H   UNL     1      15.163  -2.337  -0.809  1.00  0.00           H  
HETATM   96  H   UNL     1      16.829  -0.501  -0.825  1.00  0.00           H  
HETATM   97  H   UNL     1      16.876  -0.527   0.954  1.00  0.00           H  
HETATM   98  H   UNL     1      17.652  -2.882   0.899  1.00  0.00           H  
HETATM   99  H   UNL     1      17.606  -2.855  -0.880  1.00  0.00           H  
HETATM  100  H   UNL     1      19.272  -1.019  -0.896  1.00  0.00           H  
HETATM  101  H   UNL     1      19.319  -1.046   0.883  1.00  0.00           H  
HETATM  102  H   UNL     1      20.095  -3.400   0.828  1.00  0.00           H  
HETATM  103  H   UNL     1      20.049  -3.374  -0.951  1.00  0.00           H  
HETATM  104  H   UNL     1      21.204  -2.340  -0.076  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.417  -0.492  -1.148  1.00  0.00           H  
HETATM  106  H   UNL     1      -3.362  -1.943  -0.933  1.00  0.00           H  
HETATM  107  H   UNL     1      -5.192  -3.414  -0.861  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.855   4.247   1.974  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.868  -4.517   1.721  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.426   2.385   2.901  1.00  0.00           H  
HETATM  111  H   UNL     1      -8.261   2.684  -0.615  1.00  0.00           H  
HETATM  112  H   UNL     1       0.446   3.849  -2.495  1.00  0.00           H  
HETATM  113  H   UNL     1      -2.217  -0.675  -4.599  1.00  0.00           H  
HETATM  114  H   UNL     1      -2.523  -2.594   1.208  1.00  0.00           H  
HETATM  115  H   UNL     1      -5.164  -4.691   1.157  1.00  0.00           H  
CONECT    1   45   16   14   56                                       
CONECT    2    5    3   39   57                                       
CONECT    3   40    2   58   59                                       
CONECT    4   48   17    5   60                                       
CONECT    5    4   49    2   61                                       
CONECT    6   18   49   50   50                                       
CONECT    7    8   41   42   42                                       
CONECT    8    9    9    7   62                                       
CONECT    9   38    8    8   63                                       
CONECT   10   43   36   38   64                                       
CONECT   11   12   43   35   65                                       
CONECT   12   33   11   44   66                                       
CONECT   13   44   45   15   67                                       
CONECT   14    1   15   46   68                                       
CONECT   15   13   14   47   69                                       
CONECT   16   39    1   70   71                                       
CONECT   17    4   40   72   73                                       
CONECT   18   19    6   74   75                                       
CONECT   19   20   18   76   77                                       
CONECT   20   19   21   78   79                                       
CONECT   21   20   22   80   81                                       
CONECT   22   23   21   82   83                                       
CONECT   23   22   24   84   85                                       
CONECT   24   23   25   86   87                                       
CONECT   25   24   26   88   89                                       
CONECT   26   25   27   90   91                                       
CONECT   27   26   28   92   93                                       
CONECT   28   27   29   94   95                                       
CONECT   29   28   30   96   97                                       
CONECT   30   29   31   98   99                                       
CONECT   31   30   32  100  101                                       
CONECT   32   31  102  103  104                                       
CONECT   33   34   40   12  105                                       
CONECT   34   51   51   52   33                                       
CONECT   35   53   11   36  106                                       
CONECT   36   54   35   10  107                                       
CONECT   37   38   55   55   41                                       
CONECT   38   10   37    9                                            
CONECT   39    2   16  108                                            
CONECT   40   17   33    3                                            
CONECT   41   37    7  109                                            
CONECT   42    7    7                                                 
CONECT   43   11   10                                                 
CONECT   44   12   13                                                 
CONECT   45   13    1                                                 
CONECT   46   14  110                                                 
CONECT   47   15  111                                                 
CONECT   48    4  112                                                 
CONECT   49    5    6                                                 
CONECT   50    6    6                                                 
CONECT   51   34   34                                                 
CONECT   52   34  113                                                 
CONECT   53   35  114                                                 
CONECT   54   36  115                                                 
CONECT   55   37   37                                                 
CONECT   56    1                                                      
CONECT   57    2                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    8                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   16                                                      
CONECT   71   16                                                      
CONECT   72   17                                                      
CONECT   73   17                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   19                                                      
CONECT   78   20                                                      
CONECT   79   20                                                      
CONECT   80   21                                                      
CONECT   81   21                                                      
CONECT   82   22                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   25                                                      
CONECT   89   25                                                      
CONECT   90   26                                                      
CONECT   91   26                                                      
CONECT   92   27                                                      
CONECT   93   27                                                      
CONECT   94   28                                                      
CONECT   95   28                                                      
CONECT   96   29                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   30                                                      
CONECT  100   31                                                      
CONECT  101   31                                                      
CONECT  102   32                                                      
CONECT  103   32                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   35                                                      
CONECT  107   36                                                      
CONECT  108   39                                                      
CONECT  109   41                                                      
CONECT  110   46                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   52                                                      
CONECT  114   53                                                      
CONECT  115   54                                                      
MASTER        0    0    0    0    0    0    0    0  115    0  115    0
END
