COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.313   0.779  -1.511  1.00  0.00           C  
HETATM    2  C   UNL     1      -6.686   0.435  -0.996  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.583  -0.069  -1.808  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.285  -0.189  -3.280  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.913  -0.530  -1.268  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.941   0.594  -1.418  1.00  0.00           C  
HETATM    7  C   UNL     1     -11.270   0.134  -0.879  1.00  0.00           C  
HETATM    8  C   UNL     1     -11.840   0.787   0.103  1.00  0.00           C  
HETATM    9  C   UNL     1     -11.109   1.916   0.781  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.228   0.408   0.554  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.133  -0.558   1.737  1.00  0.00           C  
HETATM   12  C   UNL     1     -13.873  -3.272   1.892  1.00  0.00           C  
HETATM   13  C   UNL     1     -16.251  -2.577   2.712  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.864  -2.199   2.260  1.00  0.00           C  
HETATM   15  C   UNL     1     -14.520  -0.937   2.188  1.00  0.00           C  
HETATM   16  N   UNL     1       4.925  -2.321  -0.883  1.00  0.00           N1-
HETATM   17  N   UNL     1       4.770   1.176  -0.900  1.00  0.00           N1-
HETATM   18  C   UNL     1       1.877   0.439  -0.104  1.00  0.00           C  
HETATM   19  C   UNL     1       3.944  -3.123  -1.268  1.00  0.00           C  
HETATM   20  C   UNL     1       6.802  -1.574   1.378  1.00  0.00           C  
HETATM   21  C   UNL     1       5.704   2.056  -0.570  1.00  0.00           C  
HETATM   22  C   UNL     1       0.541  -0.030   0.387  1.00  0.00           C  
HETATM   23  C   UNL     1       4.612  -4.304  -1.778  1.00  0.00           C  
HETATM   24  C   UNL     1       7.464  -1.087   2.488  1.00  0.00           C  
HETATM   25  C   UNL     1       5.304   3.296  -1.127  1.00  0.00           C  
HETATM   26  C   UNL     1       0.650  -1.582   0.362  1.00  0.00           C  
HETATM   27  C   UNL     1       5.936  -4.211  -1.398  1.00  0.00           C  
HETATM   28  C   UNL     1       7.390   0.308   2.472  1.00  0.00           C  
HETATM   29  C   UNL     1       3.930   3.202  -1.385  1.00  0.00           C  
HETATM   30  C   UNL     1       2.042  -1.848  -0.140  1.00  0.00           C  
HETATM   31  C   UNL     1       6.031  -3.015  -0.570  1.00  0.00           C  
HETATM   32  C   UNL     1       6.668   0.698   1.356  1.00  0.00           C  
HETATM   33  C   UNL     1       3.647   1.808  -1.133  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.571   0.445  -0.551  1.00  0.00           C  
HETATM   35  C   UNL     1       7.054  -5.153  -1.763  1.00  0.00           C  
HETATM   36  C   UNL     1       7.993   1.233   3.497  1.00  0.00           C  
HETATM   37  C   UNL     1       2.632   3.780  -1.713  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.931   0.062   0.036  1.00  0.00           C  
HETATM   39  C   UNL     1       7.794  -4.615  -2.989  1.00  0.00           C  
HETATM   40  C   UNL     1       9.507   1.306   3.289  1.00  0.00           C  
HETATM   41  C   UNL     1       1.564   2.789  -1.254  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.708   5.033   0.782  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.026   0.529  -0.888  1.00  0.00           C  
HETATM   44  C   UNL     1       0.756   3.390  -0.133  1.00  0.00           C  
HETATM   45  C   UNL     1       2.273   1.562  -0.770  1.00  0.00           C  
HETATM   46  C   UNL     1       2.554  -2.903  -0.834  1.00  0.00           C  
HETATM   47  C   UNL     1       6.846  -2.692   0.529  1.00  0.00           C  
HETATM   48  C   UNL     1       6.589   1.820   0.516  1.00  0.00           C  
HETATM   49  C   UNL     1       0.471  -2.153   1.770  1.00  0.00           C  
HETATM   50  C   UNL     1       3.982  -5.419  -2.572  1.00  0.00           C  
HETATM   51  C   UNL     1       8.150  -1.921   3.539  1.00  0.00           C  
HETATM   52  C   UNL     1       6.187   4.488  -1.390  1.00  0.00           C  
HETATM   53  N   UNL     1       2.705  -0.655   0.004  1.00  0.00           N  
HETATM   54  N   UNL     1       6.025  -0.484   1.048  1.00  0.00           N  
HETATM   55  O   UNL     1       7.716   0.737   4.808  1.00  0.00           O  
HETATM   56  O   UNL     1      -2.747   1.108  -1.911  1.00  0.00           O  
HETATM   57  O   UNL     1       0.745   2.863   0.954  1.00  0.00           O  
HETATM   58  O   UNL     1      -4.311   0.301  -0.575  1.00  0.00           O  
HETATM   59  O   UNL     1       0.047   4.511  -0.343  1.00  0.00           O  
HETATM   60  O   UNL     1       2.436   4.850  -2.250  1.00  0.00           O  
HETATM   61 MG   UNL     1       4.602  -0.582  -0.206  1.00  0.00          Mg  
HETATM   62  H   UNL     1      -5.159   0.305  -2.481  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.224   1.860  -1.617  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.932   0.604   0.042  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.743  -1.116  -3.467  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.219  -0.195  -3.841  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.676   0.658  -3.597  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.248  -1.405  -1.826  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.808  -0.788  -0.215  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.606   1.469  -0.862  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.045   0.852  -2.472  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.753  -0.734  -1.303  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.283   2.842   0.234  1.00  0.00           H  
HETATM   74  H   UNL     1     -11.475   2.024   1.803  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.041   1.699   0.799  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.767   1.305   0.860  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.758  -0.073  -0.267  1.00  0.00           H  
HETATM   78  H   UNL     1     -12.593  -1.454   1.431  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.602  -0.077   2.558  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.335  -4.251   2.014  1.00  0.00           H  
HETATM   81  H   UNL     1     -13.565  -3.142   0.854  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.000  -3.199   2.542  1.00  0.00           H  
HETATM   83  H   UNL     1     -16.260  -2.701   3.795  1.00  0.00           H  
HETATM   84  H   UNL     1     -16.952  -1.791   2.431  1.00  0.00           H  
HETATM   85  H   UNL     1     -16.545  -3.513   2.236  1.00  0.00           H  
HETATM   86  H   UNL     1     -15.231  -0.167   2.452  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.515   1.528  -0.663  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.449  -0.028  -1.526  1.00  0.00           H  
HETATM   89  H   UNL     1       7.748  -5.236  -0.927  1.00  0.00           H  
HETATM   90  H   UNL     1       6.641  -6.136  -1.991  1.00  0.00           H  
HETATM   91  H   UNL     1       7.562   2.228   3.387  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.987  -1.021   0.147  1.00  0.00           H  
HETATM   93  H   UNL     1      -2.052   0.534   1.010  1.00  0.00           H  
HETATM   94  H   UNL     1       8.602  -5.297  -3.254  1.00  0.00           H  
HETATM   95  H   UNL     1       7.100  -4.533  -3.826  1.00  0.00           H  
HETATM   96  H   UNL     1       8.207  -3.632  -2.761  1.00  0.00           H  
HETATM   97  H   UNL     1       9.938   0.311   3.400  1.00  0.00           H  
HETATM   98  H   UNL     1       9.719   1.685   2.289  1.00  0.00           H  
HETATM   99  H   UNL     1       9.944   1.975   4.031  1.00  0.00           H  
HETATM  100  H   UNL     1       0.910   2.537  -2.089  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.234   5.938   0.478  1.00  0.00           H  
HETATM  102  H   UNL     1      -1.431   4.286   1.112  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.027   5.266   1.600  1.00  0.00           H  
HETATM  104  H   UNL     1       1.850  -3.678  -1.100  1.00  0.00           H  
HETATM  105  H   UNL     1       7.622  -3.409   0.753  1.00  0.00           H  
HETATM  106  H   UNL     1       7.295   2.610   0.724  1.00  0.00           H  
HETATM  107  H   UNL     1      -0.510  -1.873   2.155  1.00  0.00           H  
HETATM  108  H   UNL     1       0.550  -3.240   1.734  1.00  0.00           H  
HETATM  109  H   UNL     1       1.245  -1.754   2.425  1.00  0.00           H  
HETATM  110  H   UNL     1       4.046  -5.189  -3.635  1.00  0.00           H  
HETATM  111  H   UNL     1       4.509  -6.352  -2.370  1.00  0.00           H  
HETATM  112  H   UNL     1       2.936  -5.523  -2.285  1.00  0.00           H  
HETATM  113  H   UNL     1       9.190  -2.082   3.254  1.00  0.00           H  
HETATM  114  H   UNL     1       8.113  -1.401   4.496  1.00  0.00           H  
HETATM  115  H   UNL     1       7.645  -2.882   3.628  1.00  0.00           H  
HETATM  116  H   UNL     1       6.602   4.418  -2.395  1.00  0.00           H  
HETATM  117  H   UNL     1       5.600   5.402  -1.302  1.00  0.00           H  
HETATM  118  H   UNL     1       6.999   4.507  -0.662  1.00  0.00           H  
HETATM  119  H   UNL     1       8.075   1.284   5.520  1.00  0.00           H  
HETATM  120  H   UNL     1       0.362   0.324   1.402  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.089  -2.005  -0.318  1.00  0.00           H  
CONECT    1    2   58   62   63                                       
CONECT    2    1    3    3   64                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3   65   66   67                                       
CONECT    5    3    6   68   69                                       
CONECT    6    5    7   70   71                                       
CONECT    7    6    8    8   72                                       
CONECT    8    7    7    9   10                                       
CONECT    9    8   73   74   75                                       
CONECT   10    8   11   76   77                                       
CONECT   11   10   15   78   79                                       
CONECT   12   14   80   81   82                                       
CONECT   13   14   83   84   85                                       
CONECT   14   12   13   15   15                                       
CONECT   15   11   14   14   86                                       
CONECT   16   19   19   31   61                                       
CONECT   17   21   33   33   61                                       
CONECT   18   22   45   45   53                                       
CONECT   19   16   16   23   46                                       
CONECT   20   24   24   47   54                                       
CONECT   21   17   25   48   48                                       
CONECT   22   18   26   34  120                                       
CONECT   23   19   27   27   50                                       
CONECT   24   20   20   28   51                                       
CONECT   25   21   29   29   52                                       
CONECT   26   22   30   49  121                                       
CONECT   27   23   23   31   35                                       
CONECT   28   24   32   32   36                                       
CONECT   29   25   25   33   37                                       
CONECT   30   26   46   46   53                                       
CONECT   31   16   27   47   47                                       
CONECT   32   28   28   48   54                                       
CONECT   33   17   17   29   45                                       
CONECT   34   22   38   87   88                                       
CONECT   35   27   39   89   90                                       
CONECT   36   28   40   55   91                                       
CONECT   37   29   41   60   60                                       
CONECT   38   34   43   92   93                                       
CONECT   39   35   94   95   96                                       
CONECT   40   36   97   98   99                                       
CONECT   41   37   44   45  100                                       
CONECT   42   59  101  102  103                                       
CONECT   43   38   56   56   58                                       
CONECT   44   41   57   57   59                                       
CONECT   45   18   18   33   41                                       
CONECT   46   19   30   30  104                                       
CONECT   47   20   31   31  105                                       
CONECT   48   21   21   32  106                                       
CONECT   49   26  107  108  109                                       
CONECT   50   23  110  111  112                                       
CONECT   51   24  113  114  115                                       
CONECT   52   25  116  117  118                                       
CONECT   53   18   30   61                                            
CONECT   54   20   32   61                                            
CONECT   55   36  119                                                 
CONECT   56   43   43                                                 
CONECT   57   44   44                                                 
CONECT   58    1   43                                                 
CONECT   59   42   44                                                 
CONECT   60   37   37                                                 
CONECT   61   16   17   53   54                                       
CONECT   62    1                                                      
CONECT   63    1                                                      
CONECT   64    2                                                      
CONECT   65    4                                                      
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    5                                                      
CONECT   69    5                                                      
CONECT   70    6                                                      
CONECT   71    6                                                      
CONECT   72    7                                                      
CONECT   73    9                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   12                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   13                                                      
CONECT   84   13                                                      
CONECT   85   13                                                      
CONECT   86   15                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   35                                                      
CONECT   90   35                                                      
CONECT   91   36                                                      
CONECT   92   38                                                      
CONECT   93   38                                                      
CONECT   94   39                                                      
CONECT   95   39                                                      
CONECT   96   39                                                      
CONECT   97   40                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   42                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   50                                                      
CONECT  112   50                                                      
CONECT  113   51                                                      
CONECT  114   51                                                      
CONECT  115   51                                                      
CONECT  116   52                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   55                                                      
CONECT  120   22                                                      
CONECT  121   26                                                      
MASTER        0    0    0    0    0    0    0    0  121    0  121    0
END
