COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.407  -1.913   0.634  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.546  -0.499   0.482  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.948  -2.336   2.002  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.378  -2.027   2.080  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.739  -3.843   2.181  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.177  -4.235   3.484  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.250  -4.164   2.020  1.00  0.00           C  
HETATM    8  O   UNL     1      -2.054  -5.577   2.113  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.775  -3.671   0.651  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.026  -2.268   0.538  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.275  -3.934   0.507  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.165   2.745  -0.603  1.00  0.00           C  
HETATM   13  N   UNL     1      -4.787   3.822   0.172  1.00  0.00           N  
HETATM   14  C   UNL     1      -2.891   2.278   0.105  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.242   1.153  -0.704  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.052   0.717  -0.044  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.218  -0.019  -0.823  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.492   0.448  -1.530  1.00  0.00           C  
HETATM   19  N   UNL     1      -5.427  -0.674  -1.644  1.00  0.00           N  
HETATM   20  C   UNL     1      -5.141   1.573  -0.721  1.00  0.00           C  
HETATM   21  C   UNL     1       0.126   1.421  -0.443  1.00  0.00           C  
HETATM   22  C   UNL     1       1.342   0.945   0.381  1.00  0.00           C  
HETATM   23  C   UNL     1       2.509   0.955  -0.632  1.00  0.00           C  
HETATM   24  C   UNL     1       1.860   1.436  -1.948  1.00  0.00           C  
HETATM   25  O   UNL     1       0.459   1.107  -1.813  1.00  0.00           O  
HETATM   26  C   UNL     1       2.468   0.700  -3.143  1.00  0.00           C  
HETATM   27  C   UNL     1       7.339   0.760   1.099  1.00  0.00           C  
HETATM   28  C   UNL     1       6.557   1.718   2.002  1.00  0.00           C  
HETATM   29  C   UNL     1       5.434   2.367   1.187  1.00  0.00           C  
HETATM   30  C   UNL     1       4.544   1.270   0.595  1.00  0.00           C  
HETATM   31  O   UNL     1       3.527   1.866  -0.213  1.00  0.00           O  
HETATM   32  C   UNL     1       6.377  -0.275   0.510  1.00  0.00           C  
HETATM   33  O   UNL     1       5.340   0.396  -0.209  1.00  0.00           O  
HETATM   34  C   UNL     1       7.140  -1.199  -0.440  1.00  0.00           C  
HETATM   35  N   UNL     1       0.180  -3.461  -0.803  1.00  0.00           N  
HETATM   36  O   UNL     1       1.122  -0.376   0.882  1.00  0.00           O  
HETATM   37  O   UNL     1       7.434   2.731   2.498  1.00  0.00           O  
HETATM   38  O   UNL     1       8.345   0.095   1.867  1.00  0.00           O  
HETATM   39  O   UNL     1       1.939   1.240  -4.355  1.00  0.00           O  
HETATM   40  O   UNL     1      -1.979   3.373   0.215  1.00  0.00           O  
HETATM   41  N   UNL     1       6.219  -2.189  -1.004  1.00  0.00           N  
HETATM   42  N   UNL     1       4.633   3.231   2.058  1.00  0.00           N  
HETATM   43  C   UNL     1      -5.787  -0.776   2.451  1.00  0.00           C  
HETATM   44  N   UNL     1      -4.886   0.161   2.742  1.00  0.00           N  
HETATM   45  N   UNL     1      -7.087  -0.495   2.522  1.00  0.00           N1+
HETATM   46  C   UNL     1       1.495  -3.592  -1.159  1.00  0.00           C  
HETATM   47  N   UNL     1       2.361  -4.149  -0.315  1.00  0.00           N1+
HETATM   48  N   UNL     1       1.908  -3.163  -2.350  1.00  0.00           N  
HETATM   49  C   UNL     1      -5.598   4.731  -0.450  1.00  0.00           C  
HETATM   50  N   UNL     1      -6.163   5.710   0.254  1.00  0.00           N1+
HETATM   51  N   UNL     1      -5.823   4.637  -1.760  1.00  0.00           N  
HETATM   52  C   UNL     1      -6.368  -0.683  -2.636  1.00  0.00           C  
HETATM   53  N   UNL     1      -7.217  -1.703  -2.740  1.00  0.00           N1+
HETATM   54  N   UNL     1      -6.434   0.329  -3.500  1.00  0.00           N  
HETATM   55  C   UNL     1       3.932   4.278   1.526  1.00  0.00           C  
HETATM   56  N   UNL     1       3.978   4.513   0.215  1.00  0.00           N  
HETATM   57  N   UNL     1       3.204   5.063   2.318  1.00  0.00           N1+
HETATM   58  C   UNL     1       6.679  -3.128  -1.886  1.00  0.00           C  
HETATM   59  N   UNL     1       5.842  -4.027  -2.399  1.00  0.00           N1+
HETATM   60  N   UNL     1       7.965  -3.141  -2.233  1.00  0.00           N  
HETATM   61  H   UNL     1       8.575  -2.486  -1.860  1.00  0.00           H  
HETATM   62  H   UNL     1       8.292  -3.807  -2.859  1.00  0.00           H  
HETATM   63  H   UNL     1       5.282  -2.179  -0.751  1.00  0.00           H  
HETATM   64  H   UNL     1       7.578  -0.611  -1.246  1.00  0.00           H  
HETATM   65  H   UNL     1       7.932  -1.711   0.108  1.00  0.00           H  
HETATM   66  H   UNL     1       5.938  -0.863   1.316  1.00  0.00           H  
HETATM   67  H   UNL     1       4.082   0.702   1.401  1.00  0.00           H  
HETATM   68  H   UNL     1       2.919  -0.048  -0.753  1.00  0.00           H  
HETATM   69  H   UNL     1       1.542   1.635   1.201  1.00  0.00           H  
HETATM   70  H   UNL     1       0.363  -0.449   1.477  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.016   2.495  -0.324  1.00  0.00           H  
HETATM   72  H   UNL     1       1.987   2.513  -2.062  1.00  0.00           H  
HETATM   73  H   UNL     1       3.551   0.823  -3.132  1.00  0.00           H  
HETATM   74  H   UNL     1       2.222  -0.360  -3.080  1.00  0.00           H  
HETATM   75  H   UNL     1       2.282   0.820  -5.156  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.991   1.520  -1.700  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.142   1.912   1.100  1.00  0.00           H  
HETATM   78  H   UNL     1      -2.325   4.124   0.717  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.623   3.890   1.125  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.398   5.282  -2.200  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.411   3.924  -2.272  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.392   1.207   0.274  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.049   1.906  -1.225  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.241   0.814  -2.526  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.378  -1.411  -1.015  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.101   0.323  -4.204  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.815   1.072  -3.425  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.967  -2.420  -0.152  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.314  -4.201  -0.134  1.00  0.00           H  
HETATM   90  H   UNL     1       0.265  -3.404   1.291  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.083  -5.004   0.593  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.451  -3.056  -1.419  1.00  0.00           H  
HETATM   93  H   UNL     1       2.840  -3.255  -2.602  1.00  0.00           H  
HETATM   94  H   UNL     1       1.278  -2.757  -2.965  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.683  -3.664   2.805  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.338  -5.959   2.954  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.312  -4.383   1.426  1.00  0.00           H  
HETATM   98  H   UNL     1      -4.074  -5.179   3.666  1.00  0.00           H  
HETATM   99  H   UNL     1      -3.415  -1.798   2.786  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.034  -2.709   1.868  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.378   0.392   2.786  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.743  -1.177   2.310  1.00  0.00           H  
HETATM  103  H   UNL     1       5.865   2.961   0.382  1.00  0.00           H  
HETATM  104  H   UNL     1       4.599   3.060   3.012  1.00  0.00           H  
HETATM  105  H   UNL     1       3.171   4.893   3.272  1.00  0.00           H  
HETATM  106  H   UNL     1       2.708   5.806   1.940  1.00  0.00           H  
HETATM  107  H   UNL     1       6.129   1.164   2.838  1.00  0.00           H  
HETATM  108  H   UNL     1       8.174   2.390   3.019  1.00  0.00           H  
HETATM  109  H   UNL     1       7.809   1.321   0.292  1.00  0.00           H  
HETATM  110  H   UNL     1       8.989   0.692   2.272  1.00  0.00           H  
HETATM  111  H   UNL     1      -2.755  -0.820  -1.399  1.00  0.00           H  
HETATM  112  H   UNL     1      -3.914   3.111  -1.598  1.00  0.00           H  
HETATM  113  H   UNL     1      -3.940  -0.044   2.691  1.00  0.00           H  
HETATM  114  H   UNL     1       3.293  -4.242  -0.567  1.00  0.00           H  
HETATM  115  H   UNL     1      -6.000   5.779   1.208  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.169  -2.440  -2.111  1.00  0.00           H  
HETATM  117  H   UNL     1       3.482   5.255  -0.162  1.00  0.00           H  
HETATM  118  H   UNL     1       4.905  -4.017  -2.146  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.885  -1.709  -3.444  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.739   6.355  -0.187  1.00  0.00           H  
HETATM  121  H   UNL     1       6.168  -4.693  -3.024  1.00  0.00           H  
HETATM  122  H   UNL     1      -5.177   1.048   3.006  1.00  0.00           H  
HETATM  123  H   UNL     1       4.509   3.941  -0.361  1.00  0.00           H  
HETATM  124  H   UNL     1       2.060  -4.462   0.553  1.00  0.00           H  
CONECT    1    2   10    3   88                                       
CONECT    2    1   17                                                 
CONECT    3    1   99    4    5                                       
CONECT    4    3   43  100                                            
CONECT    5    3    6    7   97                                       
CONECT    6    5   98                                                 
CONECT    7    5   95    9    8                                       
CONECT    8    7   96                                                 
CONECT    9    7   10   11   89                                       
CONECT   10    1    9                                                 
CONECT   11    9   90   91   35                                       
CONECT   12   13   20  112   14                                       
CONECT   13   12   79   49                                            
CONECT   14   12   77   40   15                                       
CONECT   15   14   17   76   16                                       
CONECT   16   15   21                                                 
CONECT   17    2   15   18  111                                       
CONECT   18   17   20   19   84                                       
CONECT   19   18   52   85                                            
CONECT   20   12   18   83   82                                       
CONECT   21   16   71   25   22                                       
CONECT   22   21   36   69   23                                       
CONECT   23   22   68   24   31                                       
CONECT   24   23   25   26   72                                       
CONECT   25   21   24                                                 
CONECT   26   24   39   74   73                                       
CONECT   27   32   38   28  109                                       
CONECT   28   27  107   29   37                                       
CONECT   29   28   30   42  103                                       
CONECT   30   29   67   31   33                                       
CONECT   31   23   30                                                 
CONECT   32   27   66   33   34                                       
CONECT   33   30   32                                                 
CONECT   34   32   41   64   65                                       
CONECT   35   11   92   46                                            
CONECT   36   22   70                                                 
CONECT   37   28  108                                                 
CONECT   38   27  110                                                 
CONECT   39   26   75                                                 
CONECT   40   14   78                                                 
CONECT   41   34   58   63                                            
CONECT   42   29  104   55                                            
CONECT   43    4   45   45   44                                       
CONECT   44   43  122  113                                            
CONECT   45   43   43  101  102                                       
CONECT   46   35   47   47   48                                       
CONECT   47   46   46  114  124                                       
CONECT   48   46   93   94                                            
CONECT   49   13   50   50   51                                       
CONECT   50   49   49  115  120                                       
CONECT   51   49   80   81                                            
CONECT   52   19   53   53   54                                       
CONECT   53   52   52  119  116                                       
CONECT   54   52   86   87                                            
CONECT   55   42   57   57   56                                       
CONECT   56   55  123  117                                            
CONECT   57   55   55  106  105                                       
CONECT   58   41   59   59   60                                       
CONECT   59   58   58  118  121                                       
CONECT   60   58   62   61                                            
CONECT   61   60                                                      
CONECT   62   60                                                      
CONECT   63   41                                                      
CONECT   64   34                                                      
CONECT   65   34                                                      
CONECT   66   32                                                      
CONECT   67   30                                                      
CONECT   68   23                                                      
CONECT   69   22                                                      
CONECT   70   36                                                      
CONECT   71   21                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   39                                                      
CONECT   76   15                                                      
CONECT   77   14                                                      
CONECT   78   40                                                      
CONECT   79   13                                                      
CONECT   80   51                                                      
CONECT   81   51                                                      
CONECT   82   20                                                      
CONECT   83   20                                                      
CONECT   84   18                                                      
CONECT   85   19                                                      
CONECT   86   54                                                      
CONECT   87   54                                                      
CONECT   88    1                                                      
CONECT   89    9                                                      
CONECT   90   11                                                      
CONECT   91   11                                                      
CONECT   92   35                                                      
CONECT   93   48                                                      
CONECT   94   48                                                      
CONECT   95    7                                                      
CONECT   96    8                                                      
CONECT   97    5                                                      
CONECT   98    6                                                      
CONECT   99    3                                                      
CONECT  100    4                                                      
CONECT  101   45                                                      
CONECT  102   45                                                      
CONECT  103   29                                                      
CONECT  104   42                                                      
CONECT  105   57                                                      
CONECT  106   57                                                      
CONECT  107   28                                                      
CONECT  108   37                                                      
CONECT  109   27                                                      
CONECT  110   38                                                      
CONECT  111   17                                                      
CONECT  112   12                                                      
CONECT  113   44                                                      
CONECT  114   47                                                      
CONECT  115   50                                                      
CONECT  116   53                                                      
CONECT  117   56                                                      
CONECT  118   59                                                      
CONECT  119   53                                                      
CONECT  120   50                                                      
CONECT  121   59                                                      
CONECT  122   44                                                      
CONECT  123   56                                                      
CONECT  124   47                                                      
MASTER        0    0    0    0    0    0    0    0  124    0  124    0
END
