COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.793   0.581   0.808  1.00  0.00           C  
HETATM    2  C   UNL     1       0.443   2.862  -0.581  1.00  0.00           C  
HETATM    3  C   UNL     1       2.516   3.942  -1.459  1.00  0.00           C  
HETATM    4  C   UNL     1       4.949   4.506  -1.398  1.00  0.00           C  
HETATM    5  C   UNL     1       5.784   1.838   0.824  1.00  0.00           C  
HETATM    6  C   UNL     1       6.102   0.367   0.745  1.00  0.00           C  
HETATM    7  C   UNL     1       6.265  -0.394   2.062  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.306   0.697   4.288  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.157  -0.817   4.126  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.374  -1.192   2.682  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.282  -1.224   1.801  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.042  -0.919   2.256  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.992  -0.862   1.289  1.00  0.00           C  
HETATM   14  C   UNL     1       0.340  -1.282   1.929  1.00  0.00           C  
HETATM   15  C   UNL     1       1.282  -0.081   1.781  1.00  0.00           C  
HETATM   16  N   UNL     1       0.635   0.891   0.897  1.00  0.00           N  
HETATM   17  C   UNL     1       1.250   1.914   0.270  1.00  0.00           C  
HETATM   18  O   UNL     1       2.446   2.072   0.390  1.00  0.00           O  
HETATM   19  C   UNL     1       1.196   4.186  -0.724  1.00  0.00           C  
HETATM   20  C   UNL     1       3.546   4.983  -1.017  1.00  0.00           C  
HETATM   21  C   UNL     1       5.704   4.084  -0.136  1.00  0.00           C  
HETATM   22  C   UNL     1       6.020   2.612  -0.208  1.00  0.00           C  
HETATM   23  C   UNL     1       5.024  -0.620   1.196  1.00  0.00           C  
HETATM   24  N   UNL     1       3.756  -0.076   1.685  1.00  0.00           N  
HETATM   25  C   UNL     1       2.590  -0.534   1.186  1.00  0.00           C  
HETATM   26  O   UNL     1       2.594  -1.312   0.256  1.00  0.00           O  
HETATM   27  C   UNL     1       4.924  -1.928   0.453  1.00  0.00           C  
HETATM   28  O   UNL     1       5.294  -2.955   0.982  1.00  0.00           O  
HETATM   29  N   UNL     1       4.425  -1.956  -0.799  1.00  0.00           N  
HETATM   30  S   UNL     1       4.201  -3.405  -1.568  1.00  0.00           S  
HETATM   31  O   UNL     1       3.696  -3.047  -2.848  1.00  0.00           O  
HETATM   32  O   UNL     1       5.449  -4.071  -1.433  1.00  0.00           O  
HETATM   33  C   UNL     1       2.922  -4.243  -0.591  1.00  0.00           C  
HETATM   34  C   UNL     1       2.480  -5.634  -1.051  1.00  0.00           C  
HETATM   35  C   UNL     1       1.550  -4.434  -1.240  1.00  0.00           C  
HETATM   36  N   UNL     1      -0.855   3.105   0.055  1.00  0.00           N  
HETATM   37  C   UNL     1      -1.906   3.500  -0.690  1.00  0.00           C  
HETATM   38  O   UNL     1      -1.804   3.567  -1.899  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.071   3.819  -0.094  1.00  0.00           O  
HETATM   40  C   UNL     1      -4.176   4.185  -0.962  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.450   3.047  -1.947  1.00  0.00           C  
HETATM   42  C   UNL     1      -5.426   4.439  -0.116  1.00  0.00           C  
HETATM   43  C   UNL     1      -3.818   5.455  -1.736  1.00  0.00           C  
HETATM   44  N   UNL     1      -3.452  -1.551   0.536  1.00  0.00           N  
HETATM   45  C   UNL     1      -4.677  -1.853   0.088  1.00  0.00           C  
HETATM   46  C   UNL     1      -4.890  -2.204  -1.254  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.151  -2.508  -1.683  1.00  0.00           C  
HETATM   48  O   UNL     1      -6.354  -2.848  -2.983  1.00  0.00           O  
HETATM   49  C   UNL     1      -7.694  -3.155  -3.371  1.00  0.00           C  
HETATM   50  C   UNL     1      -7.236  -2.473  -0.801  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.063  -2.136   0.505  1.00  0.00           C  
HETATM   52  C   UNL     1      -5.778  -1.818   0.981  1.00  0.00           C  
HETATM   53  N   UNL     1      -5.581  -1.489   2.263  1.00  0.00           N  
HETATM   54  H   UNL     1      -1.128   0.674  -0.225  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.360   1.262   1.443  1.00  0.00           H  
HETATM   56  H   UNL     1       0.288   2.423  -1.567  1.00  0.00           H  
HETATM   57  H   UNL     1       2.884   2.944  -1.223  1.00  0.00           H  
HETATM   58  H   UNL     1       2.354   4.025  -2.534  1.00  0.00           H  
HETATM   59  H   UNL     1       4.872   3.656  -2.076  1.00  0.00           H  
HETATM   60  H   UNL     1       5.487   5.316  -1.890  1.00  0.00           H  
HETATM   61  H   UNL     1       5.364   2.254   1.727  1.00  0.00           H  
HETATM   62  H   UNL     1       6.740   0.069  -0.088  1.00  0.00           H  
HETATM   63  H   UNL     1       7.008  -1.191   2.094  1.00  0.00           H  
HETATM   64  H   UNL     1       6.138   0.168   2.987  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.149   0.968   5.332  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.567   1.203   3.666  1.00  0.00           H  
HETATM   67  H   UNL     1      -5.307   0.998   3.980  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.156  -1.119   4.433  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.896  -1.324   4.747  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.224  -1.511   0.444  1.00  0.00           H  
HETATM   71  H   UNL     1       0.192  -1.515   2.983  1.00  0.00           H  
HETATM   72  H   UNL     1       0.750  -2.147   1.407  1.00  0.00           H  
HETATM   73  H   UNL     1       1.460   0.369   2.758  1.00  0.00           H  
HETATM   74  H   UNL     1       0.589   4.890  -1.292  1.00  0.00           H  
HETATM   75  H   UNL     1       1.401   4.596   0.265  1.00  0.00           H  
HETATM   76  H   UNL     1       3.339   5.932  -1.510  1.00  0.00           H  
HETATM   77  H   UNL     1       3.489   5.115   0.064  1.00  0.00           H  
HETATM   78  H   UNL     1       6.632   4.651  -0.061  1.00  0.00           H  
HETATM   79  H   UNL     1       5.086   4.281   0.740  1.00  0.00           H  
HETATM   80  H   UNL     1       6.440   2.194  -1.111  1.00  0.00           H  
HETATM   81  H   UNL     1       3.754   0.613   2.368  1.00  0.00           H  
HETATM   82  H   UNL     1       4.198  -1.127  -1.249  1.00  0.00           H  
HETATM   83  H   UNL     1       2.950  -4.052   0.481  1.00  0.00           H  
HETATM   84  H   UNL     1       2.958  -6.045  -1.940  1.00  0.00           H  
HETATM   85  H   UNL     1       2.217  -6.358  -0.280  1.00  0.00           H  
HETATM   86  H   UNL     1       0.674  -4.370  -0.594  1.00  0.00           H  
HETATM   87  H   UNL     1       1.415  -4.057  -2.254  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.957   2.981   1.011  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.779   2.164  -1.400  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.229   3.352  -2.647  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.538   2.815  -2.497  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.230   5.250   0.586  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.255   4.714  -0.767  1.00  0.00           H  
HETATM   94  H   UNL     1      -5.681   3.535   0.436  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.927   5.274  -2.339  1.00  0.00           H  
HETATM   96  H   UNL     1      -4.647   5.730  -2.388  1.00  0.00           H  
HETATM   97  H   UNL     1      -3.622   6.266  -1.035  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.060  -2.234  -1.945  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.716  -3.409  -4.431  1.00  0.00           H  
HETATM  100  H   UNL     1      -8.057  -4.000  -2.787  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.332  -2.289  -3.192  1.00  0.00           H  
HETATM  102  H   UNL     1      -8.224  -2.717  -1.161  1.00  0.00           H  
HETATM  103  H   UNL     1      -7.909  -2.113   1.175  1.00  0.00           H  
CONECT    1   13   16   54   55                                       
CONECT    2   17   19   36   56                                       
CONECT    3   19   20   57   58                                       
CONECT    4   20   21   59   60                                       
CONECT    5    6   22   22   61                                       
CONECT    6    5    7   23   62                                       
CONECT    7    6   23   63   64                                       
CONECT    8    9   65   66   67                                       
CONECT    9    8   10   68   69                                       
CONECT   10    9   11   11   53                                       
CONECT   11   10   10   12   44                                       
CONECT   12   11   13                                                 
CONECT   13    1   12   14   70                                       
CONECT   14   13   15   71   72                                       
CONECT   15   14   16   25   73                                       
CONECT   16    1   15   17                                            
CONECT   17    2   16   18   18                                       
CONECT   18   17   17                                                 
CONECT   19    2    3   74   75                                       
CONECT   20    3    4   76   77                                       
CONECT   21    4   22   78   79                                       
CONECT   22    5    5   21   80                                       
CONECT   23    6    7   24   27                                       
CONECT   24   23   25   81                                            
CONECT   25   15   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   23   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   82                                            
CONECT   30   29   31   31   32                                       
CONECT   30   32   33                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   30   34   35   83                                       
CONECT   34   33   35   84   85                                       
CONECT   35   33   34   86   87                                       
CONECT   36    2   37   88                                            
CONECT   37   36   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40                                                 
CONECT   40   39   41   42   43                                       
CONECT   41   40   89   90   91                                       
CONECT   42   40   92   93   94                                       
CONECT   43   40   95   96   97                                       
CONECT   44   11   45   45                                            
CONECT   45   44   44   46   52                                       
CONECT   46   45   47   47   98                                       
CONECT   47   46   46   48   50                                       
CONECT   48   47   49                                                 
CONECT   49   48   99  100  101                                       
CONECT   50   47   51   51  102                                       
CONECT   51   50   50   52  103                                       
CONECT   52   45   51   53   53                                       
CONECT   53   10   52   52                                            
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    2                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63    7                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69    9                                                      
CONECT   70   13                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   19                                                      
CONECT   75   19                                                      
CONECT   76   20                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   24                                                      
CONECT   82   29                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   34                                                      
CONECT   86   35                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   41                                                      
CONECT   90   41                                                      
CONECT   91   41                                                      
CONECT   92   42                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   43                                                      
CONECT   96   43                                                      
CONECT   97   43                                                      
CONECT   98   46                                                      
CONECT   99   49                                                      
CONECT  100   49                                                      
CONECT  101   49                                                      
CONECT  102   50                                                      
CONECT  103   51                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
