COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.954  -2.151  -4.031  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.101  -1.808  -5.255  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.912  -2.013  -6.533  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.178  -1.155  -6.507  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.026  -1.544  -5.294  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.224  -1.298  -4.015  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.823  -0.423  -2.714  1.00  0.00           N  
HETATM    8  C   UNL     1       0.073  -0.129  -3.836  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.669  -0.344  -5.137  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.140  -1.854  -2.766  1.00  0.00           C  
HETATM   11  C   UNL     1       0.514   1.309  -3.744  1.00  0.00           C  
HETATM   12  N   UNL     1       1.716   1.678  -4.231  1.00  0.00           N  
HETATM   13  C   UNL     1       2.144   3.076  -4.141  1.00  0.00           C  
HETATM   14  C   UNL     1       3.534   3.224  -4.763  1.00  0.00           C  
HETATM   15  C   UNL     1       1.151   3.963  -4.895  1.00  0.00           C  
HETATM   16  C   UNL     1       2.194   3.501  -2.672  1.00  0.00           C  
HETATM   17  O   UNL     1      -0.211   2.134  -3.231  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.046  -0.207  -1.485  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.941  -0.451  -0.268  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.226   0.034   0.994  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.216  -1.848  -0.151  1.00  0.00           O  
HETATM   22  N   UNL     1      -1.082  -0.198   2.160  1.00  0.00           N  
HETATM   23  C   UNL     1       1.086  -0.732   1.164  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.004   0.620   3.227  1.00  0.00           C  
HETATM   25  O   UNL     1      -0.223   1.551   3.223  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.868   0.384   4.404  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.610  -0.793   4.504  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.416  -1.009   5.603  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.486  -0.065   6.611  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.746   1.105   6.524  1.00  0.00           C  
HETATM   31  C   UNL     1      -1.935   1.333   5.424  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.818   2.030   7.518  1.00  0.00           O  
HETATM   33  C   UNL     1      -1.131   2.604   5.328  1.00  0.00           C  
HETATM   34  S   UNL     1       1.933  -0.156   2.661  1.00  0.00           S  
HETATM   35  C   UNL     1       3.369  -1.176   2.612  1.00  0.00           C  
HETATM   36  C   UNL     1       4.334  -1.068   3.606  1.00  0.00           C  
HETATM   37  C   UNL     1       5.458  -1.869   3.564  1.00  0.00           C  
HETATM   38  C   UNL     1       5.624  -2.777   2.534  1.00  0.00           C  
HETATM   39  C   UNL     1       4.666  -2.886   1.542  1.00  0.00           C  
HETATM   40  C   UNL     1       3.537  -2.093   1.581  1.00  0.00           C  
HETATM   41  H   UNL     1      -2.222  -3.208  -4.055  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.217  -2.444  -5.282  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.189  -3.065  -6.608  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.305  -1.737  -7.395  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.750  -1.321  -7.419  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.903  -0.103  -6.436  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.292  -2.599  -5.359  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.934  -0.940  -5.276  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.830  -1.566  -3.150  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.953  -0.244  -3.955  1.00  0.00           H  
HETATM   51  H   UNL     1       0.948  -0.778  -3.807  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.009  -0.091  -5.967  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.549   0.298  -5.161  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.216  -2.431  -2.785  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.723  -2.129  -1.887  1.00  0.00           H  
HETATM   56  H   UNL     1       2.296   1.018  -4.641  1.00  0.00           H  
HETATM   57  H   UNL     1       3.853   4.264  -4.696  1.00  0.00           H  
HETATM   58  H   UNL     1       4.242   2.592  -4.226  1.00  0.00           H  
HETATM   59  H   UNL     1       3.498   2.921  -5.810  1.00  0.00           H  
HETATM   60  H   UNL     1       1.115   3.660  -5.942  1.00  0.00           H  
HETATM   61  H   UNL     1       0.161   3.857  -4.452  1.00  0.00           H  
HETATM   62  H   UNL     1       1.470   5.003  -4.828  1.00  0.00           H  
HETATM   63  H   UNL     1       2.902   2.869  -2.135  1.00  0.00           H  
HETATM   64  H   UNL     1       2.513   4.541  -2.606  1.00  0.00           H  
HETATM   65  H   UNL     1       1.204   3.395  -2.229  1.00  0.00           H  
HETATM   66  H   UNL     1       0.323   0.817  -1.465  1.00  0.00           H  
HETATM   67  H   UNL     1       0.795  -0.899  -1.462  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.876   0.095  -0.389  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.016   1.100   0.905  1.00  0.00           H  
HETATM   70  H   UNL     1      -0.365  -2.293  -0.046  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.705  -0.942   2.163  1.00  0.00           H  
HETATM   72  H   UNL     1       0.876  -1.797   1.253  1.00  0.00           H  
HETATM   73  H   UNL     1       1.723  -0.558   0.296  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.558  -1.533   3.719  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.993  -1.919   5.676  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.118  -0.240   7.469  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.538   2.633   7.287  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.110   2.415   5.659  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.120   2.949   4.294  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.583   3.368   5.961  1.00  0.00           H  
HETATM   81  H   UNL     1       4.205  -0.359   4.410  1.00  0.00           H  
HETATM   82  H   UNL     1       6.209  -1.786   4.336  1.00  0.00           H  
HETATM   83  H   UNL     1       6.505  -3.402   2.503  1.00  0.00           H  
HETATM   84  H   UNL     1       4.800  -3.596   0.739  1.00  0.00           H  
HETATM   85  H   UNL     1       2.789  -2.179   0.807  1.00  0.00           H  
CONECT    1    2    6   10   41                                       
CONECT    2    1    3    9   42                                       
CONECT    3    2    4   43   44                                       
CONECT    4    3    5   45   46                                       
CONECT    5    4    6   47   48                                       
CONECT    6    1    5   49   50                                       
CONECT    7    8   10   18                                            
CONECT    8    7    9   11   51                                       
CONECT    9    2    8   52   53                                       
CONECT   10    1    7   54   55                                       
CONECT   11    8   12   17   17                                       
CONECT   12   11   13   56                                            
CONECT   13   12   14   15   16                                       
CONECT   14   13   57   58   59                                       
CONECT   15   13   60   61   62                                       
CONECT   16   13   63   64   65                                       
CONECT   17   11   11                                                 
CONECT   18    7   19   66   67                                       
CONECT   19   18   20   21   68                                       
CONECT   20   19   22   23   69                                       
CONECT   21   19   70                                                 
CONECT   22   20   24   71                                            
CONECT   23   20   34   72   73                                       
CONECT   24   22   25   25   26                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   27   31                                       
CONECT   27   26   26   28   74                                       
CONECT   28   27   29   29   75                                       
CONECT   29   28   28   30   76                                       
CONECT   30   29   31   31   32                                       
CONECT   31   26   30   30   33                                       
CONECT   32   30   77                                                 
CONECT   33   31   78   79   80                                       
CONECT   34   23   35                                                 
CONECT   35   34   36   36   40                                       
CONECT   36   35   35   37   81                                       
CONECT   37   36   38   38   82                                       
CONECT   38   37   37   39   83                                       
CONECT   39   38   40   40   84                                       
CONECT   40   35   39   39   85                                       
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    6                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   10                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   16                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   23                                                      
CONECT   73   23                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
