COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.500   2.652  -0.404  1.00  0.00           C  
HETATM    2  O   UNL     1      10.254   3.339  -1.373  1.00  0.00           O  
HETATM    3  C   UNL     1      11.785   2.855   0.357  1.00  0.00           C  
HETATM    4  N   UNL     1       9.622   1.711  -0.005  1.00  0.00           N  
HETATM    5  C   UNL     1       8.370   1.518  -0.741  1.00  0.00           C  
HETATM    6  C   UNL     1       7.337   0.914   0.175  1.00  0.00           C  
HETATM    7  O   UNL     1       7.618   0.669   1.329  1.00  0.00           O  
HETATM    8  C   UNL     1       8.614   0.579  -1.924  1.00  0.00           C  
HETATM    9  O   UNL     1       8.970  -0.717  -1.439  1.00  0.00           O  
HETATM   10  C   UNL     1       9.750   1.131  -2.787  1.00  0.00           C  
HETATM   11  N   UNL     1       6.100   0.646  -0.288  1.00  0.00           N  
HETATM   12  C   UNL     1       5.095   0.059   0.602  1.00  0.00           C  
HETATM   13  C   UNL     1       4.075  -0.690  -0.216  1.00  0.00           C  
HETATM   14  O   UNL     1       4.177  -0.730  -1.424  1.00  0.00           O  
HETATM   15  C   UNL     1       4.400   1.171   1.390  1.00  0.00           C  
HETATM   16  C   UNL     1       3.718   2.135   0.418  1.00  0.00           C  
HETATM   17  C   UNL     1       5.436   1.931   2.221  1.00  0.00           C  
HETATM   18  C   UNL     1       2.920   3.175   1.207  1.00  0.00           C  
HETATM   19  N   UNL     1       3.049  -1.316   0.394  1.00  0.00           N  
HETATM   20  C   UNL     1       2.058  -2.044  -0.401  1.00  0.00           C  
HETATM   21  C   UNL     1       0.739  -2.117   0.371  1.00  0.00           C  
HETATM   22  C   UNL     1       2.566  -3.461  -0.677  1.00  0.00           C  
HETATM   23  C   UNL     1       3.817  -3.392  -1.555  1.00  0.00           C  
HETATM   24  C   UNL     1       4.326  -4.808  -1.831  1.00  0.00           C  
HETATM   25  C   UNL     1       5.577  -4.739  -2.709  1.00  0.00           C  
HETATM   26  N   UNL     1       0.312  -0.761   0.740  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.909  -0.797   1.556  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.115  -0.829   0.654  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.972  -0.822  -0.550  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.967   0.449   2.442  1.00  0.00           C  
HETATM   31  C   UNL     1       0.188   0.417   3.445  1.00  0.00           C  
HETATM   32  C   UNL     1       0.081   1.619   4.385  1.00  0.00           C  
HETATM   33  C   UNL     1       1.236   1.586   5.388  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.353  -0.865   1.185  1.00  0.00           N  
HETATM   35  C   UNL     1      -4.527  -0.896   0.308  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.716  -0.330   1.040  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.596   0.060   2.182  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.819  -2.341  -0.101  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.664  -2.874  -0.951  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.953  -4.298  -1.354  1.00  0.00           C  
HETATM   41  O   UNL     1      -4.981  -4.832  -0.997  1.00  0.00           O  
HETATM   42  N   UNL     1      -3.068  -4.976  -2.111  1.00  0.00           N  
HETATM   43  N   UNL     1      -6.914  -0.259   0.426  1.00  0.00           N  
HETATM   44  C   UNL     1      -8.070   0.291   1.138  1.00  0.00           C  
HETATM   45  C   UNL     1      -8.718  -0.794   1.958  1.00  0.00           C  
HETATM   46  O   UNL     1      -8.259  -1.917   1.949  1.00  0.00           O  
HETATM   47  C   UNL     1      -9.080   0.837   0.125  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.463   2.021  -0.622  1.00  0.00           C  
HETATM   49  C   UNL     1      -9.473   2.567  -1.634  1.00  0.00           C  
HETATM   50  N   UNL     1      -8.883   3.701  -2.349  1.00  0.00           N  
HETATM   51  C   UNL     1      -9.605   4.354  -3.310  1.00  0.00           C  
HETATM   52  N   UNL     1     -10.844   3.959  -3.595  1.00  0.00           N  
HETATM   53  N   UNL     1      -9.068   5.386  -3.960  1.00  0.00           N1+
HETATM   54  N   UNL     1      -9.807  -0.518   2.701  1.00  0.00           N  
HETATM   55  H   UNL     1      11.628   3.590   1.146  1.00  0.00           H  
HETATM   56  H   UNL     1      12.099   1.909   0.799  1.00  0.00           H  
HETATM   57  H   UNL     1      12.558   3.212  -0.324  1.00  0.00           H  
HETATM   58  H   UNL     1       9.818   1.161   0.770  1.00  0.00           H  
HETATM   59  H   UNL     1       8.012   2.480  -1.108  1.00  0.00           H  
HETATM   60  H   UNL     1       7.706   0.505  -2.523  1.00  0.00           H  
HETATM   61  H   UNL     1       9.771  -0.727  -0.896  1.00  0.00           H  
HETATM   62  H   UNL     1      10.658   1.204  -2.189  1.00  0.00           H  
HETATM   63  H   UNL     1       9.924   0.462  -3.630  1.00  0.00           H  
HETATM   64  H   UNL     1       9.478   2.119  -3.158  1.00  0.00           H  
HETATM   65  H   UNL     1       5.874   0.842  -1.211  1.00  0.00           H  
HETATM   66  H   UNL     1       5.581  -0.628   1.295  1.00  0.00           H  
HETATM   67  H   UNL     1       3.653   0.734   2.052  1.00  0.00           H  
HETATM   68  H   UNL     1       4.474   2.638  -0.185  1.00  0.00           H  
HETATM   69  H   UNL     1       3.045   1.579  -0.234  1.00  0.00           H  
HETATM   70  H   UNL     1       4.940   2.723   2.782  1.00  0.00           H  
HETATM   71  H   UNL     1       5.921   1.244   2.913  1.00  0.00           H  
HETATM   72  H   UNL     1       6.183   2.368   1.558  1.00  0.00           H  
HETATM   73  H   UNL     1       2.434   3.862   0.514  1.00  0.00           H  
HETATM   74  H   UNL     1       2.164   2.672   1.809  1.00  0.00           H  
HETATM   75  H   UNL     1       3.593   3.732   1.859  1.00  0.00           H  
HETATM   76  H   UNL     1       2.968  -1.285   1.360  1.00  0.00           H  
HETATM   77  H   UNL     1       1.898  -1.525  -1.346  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.024  -2.580  -0.256  1.00  0.00           H  
HETATM   79  H   UNL     1       0.878  -2.712   1.273  1.00  0.00           H  
HETATM   80  H   UNL     1       2.810  -3.950   0.266  1.00  0.00           H  
HETATM   81  H   UNL     1       1.792  -4.031  -1.192  1.00  0.00           H  
HETATM   82  H   UNL     1       3.573  -2.903  -2.498  1.00  0.00           H  
HETATM   83  H   UNL     1       4.591  -2.822  -1.040  1.00  0.00           H  
HETATM   84  H   UNL     1       4.570  -5.297  -0.888  1.00  0.00           H  
HETATM   85  H   UNL     1       3.552  -5.378  -2.346  1.00  0.00           H  
HETATM   86  H   UNL     1       5.939  -5.748  -2.905  1.00  0.00           H  
HETATM   87  H   UNL     1       5.332  -4.251  -3.652  1.00  0.00           H  
HETATM   88  H   UNL     1       6.351  -4.169  -2.194  1.00  0.00           H  
HETATM   89  H   UNL     1       0.182  -0.187  -0.080  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.900  -1.688   2.183  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.884   1.341   1.820  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.915   0.469   2.980  1.00  0.00           H  
HETATM   93  H   UNL     1       0.139  -0.504   4.025  1.00  0.00           H  
HETATM   94  H   UNL     1       1.136   0.458   2.908  1.00  0.00           H  
HETATM   95  H   UNL     1       0.130   2.540   3.804  1.00  0.00           H  
HETATM   96  H   UNL     1      -0.867   1.577   4.921  1.00  0.00           H  
HETATM   97  H   UNL     1       1.187   0.665   5.969  1.00  0.00           H  
HETATM   98  H   UNL     1       2.184   1.628   4.852  1.00  0.00           H  
HETATM   99  H   UNL     1       1.160   2.443   6.058  1.00  0.00           H  
HETATM  100  H   UNL     1      -3.468  -0.870   2.148  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.330  -0.299  -0.582  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.928  -2.957   0.792  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.742  -2.375  -0.680  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.556  -2.259  -1.844  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.741  -2.841  -0.372  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.246  -4.548  -2.397  1.00  0.00           H  
HETATM  107  H   UNL     1      -3.253  -5.892  -2.371  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.010  -0.571  -0.487  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.743   1.097   1.795  1.00  0.00           H  
HETATM  110  H   UNL     1      -9.340   0.054  -0.587  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.978   1.165   0.649  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.203   2.805   0.091  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.565   1.693  -1.145  1.00  0.00           H  
HETATM  114  H   UNL     1      -9.733   1.784  -2.346  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.371   2.895  -1.110  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.980   3.989  -2.141  1.00  0.00           H  
HETATM  117  H   UNL     1     -11.235   3.208  -3.121  1.00  0.00           H  
HETATM  118  H   UNL     1     -11.356   4.423  -4.276  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.165   5.673  -3.752  1.00  0.00           H  
HETATM  120  H   UNL     1      -9.580   5.849  -4.641  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.175   0.380   2.708  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.224  -1.217   3.229  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   55   56   57                                       
CONECT    4    5   58    1                                            
CONECT    5    4    6    8   59                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6                                                 
CONECT    8    5    9   10   60                                       
CONECT    9    8   61                                                 
CONECT   10    8   62   63   64                                       
CONECT   11   12   65    6                                            
CONECT   12   11   13   15   66                                       
CONECT   13   12   14   14   19                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   67                                       
CONECT   16   15   18   68   69                                       
CONECT   17   15   70   71   72                                       
CONECT   18   16   73   74   75                                       
CONECT   19   20   76   13                                            
CONECT   20   19   21   22   77                                       
CONECT   21   20   26   78   79                                       
CONECT   22   20   23   80   81                                       
CONECT   23   22   24   82   83                                       
CONECT   24   23   25   84   85                                       
CONECT   25   24   86   87   88                                       
CONECT   26   27   89   21                                            
CONECT   27   26   28   30   90                                       
CONECT   28   27   29   29   34                                       
CONECT   29   28   28                                                 
CONECT   30   27   31   91   92                                       
CONECT   31   30   32   93   94                                       
CONECT   32   31   33   95   96                                       
CONECT   33   32   97   98   99                                       
CONECT   34   35  100   28                                            
CONECT   35   34   36   38  101                                       
CONECT   36   35   37   37   43                                       
CONECT   37   36   36                                                 
CONECT   38   35   39  102  103                                       
CONECT   39   38   40  104  105                                       
CONECT   40   39   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40  106  107                                            
CONECT   43   44  108   36                                            
CONECT   44   43   45   47  109                                       
CONECT   45   44   46   46   54                                       
CONECT   46   45   45                                                 
CONECT   47   44   48  110  111                                       
CONECT   48   47   49  112  113                                       
CONECT   49   48   50  114  115                                       
CONECT   50   49   51  116                                            
CONECT   51   50   52   53   53                                       
CONECT   52   51  117  118                                            
CONECT   53   51   51  119  120                                       
CONECT   54  121  122   45                                            
CONECT   55    3                                                      
CONECT   56    3                                                      
CONECT   57    3                                                      
CONECT   58    4                                                      
CONECT   59    5                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   10                                                      
CONECT   64   10                                                      
CONECT   65   11                                                      
CONECT   66   12                                                      
CONECT   67   15                                                      
CONECT   68   16                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   17                                                      
CONECT   72   17                                                      
CONECT   73   18                                                      
CONECT   74   18                                                      
CONECT   75   18                                                      
CONECT   76   19                                                      
CONECT   77   20                                                      
CONECT   78   21                                                      
CONECT   79   21                                                      
CONECT   80   22                                                      
CONECT   81   22                                                      
CONECT   82   23                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   24                                                      
CONECT   86   25                                                      
CONECT   87   25                                                      
CONECT   88   25                                                      
CONECT   89   26                                                      
CONECT   90   27                                                      
CONECT   91   30                                                      
CONECT   92   30                                                      
CONECT   93   31                                                      
CONECT   94   31                                                      
CONECT   95   32                                                      
CONECT   96   32                                                      
CONECT   97   33                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   34                                                      
CONECT  101   35                                                      
CONECT  102   38                                                      
CONECT  103   38                                                      
CONECT  104   39                                                      
CONECT  105   39                                                      
CONECT  106   42                                                      
CONECT  107   42                                                      
CONECT  108   43                                                      
CONECT  109   44                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   48                                                      
CONECT  113   48                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
CONECT  116   50                                                      
CONECT  117   52                                                      
CONECT  118   52                                                      
CONECT  119   53                                                      
CONECT  120   53                                                      
CONECT  121   54                                                      
CONECT  122   54                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
