COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.070   4.541  -0.570  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.089   4.148  -1.772  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.773   3.091  -2.832  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.155   4.354   0.613  1.00  0.00           C  
HETATM    5  C   UNL     1       0.124   5.167   0.403  1.00  0.00           C  
HETATM    6  C   UNL     1       1.052   4.978   1.604  1.00  0.00           C  
HETATM    7  C   UNL     1       2.331   5.790   1.393  1.00  0.00           C  
HETATM    8  C   UNL     1       3.260   5.601   2.594  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.206  -2.169  -2.739  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.688  -3.122  -1.643  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.767  -3.461  -2.791  1.00  0.00           C  
HETATM   12  C   UNL     1      -6.607  -3.912  -0.440  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.537  -1.650  -1.235  1.00  0.00           C  
HETATM   14  C   UNL     1       4.539   6.414   2.384  1.00  0.00           C  
HETATM   15  C   UNL     1       5.453   6.227   3.567  1.00  0.00           C  
HETATM   16  C   UNL     1       6.701   5.874   3.381  1.00  0.00           C  
HETATM   17  C   UNL     1       7.272   5.829   1.987  1.00  0.00           C  
HETATM   18  C   UNL     1       8.526   6.662   1.930  1.00  0.00           C  
HETATM   19  C   UNL     1       9.639   6.141   1.475  1.00  0.00           C  
HETATM   20  C   UNL     1       9.624   4.777   0.833  1.00  0.00           C  
HETATM   21  C   UNL     1      10.267   4.856  -0.528  1.00  0.00           C  
HETATM   22  C   UNL     1      11.252   4.049  -0.835  1.00  0.00           C  
HETATM   23  C   UNL     1      11.626   2.927   0.099  1.00  0.00           C  
HETATM   24  C   UNL     1      11.675   1.611  -0.679  1.00  0.00           C  
HETATM   25  C   UNL     1      12.054   0.472   0.269  1.00  0.00           C  
HETATM   26  C   UNL     1      12.103  -0.845  -0.510  1.00  0.00           C  
HETATM   27  C   UNL     1      12.482  -1.984   0.438  1.00  0.00           C  
HETATM   28  C   UNL     1      12.531  -3.300  -0.340  1.00  0.00           C  
HETATM   29  C   UNL     1      12.911  -4.440   0.608  1.00  0.00           C  
HETATM   30  C   UNL     1      12.959  -5.756  -0.170  1.00  0.00           C  
HETATM   31  C   UNL     1      13.333  -6.878   0.763  1.00  0.00           C  
HETATM   32  C   UNL     1      12.482  -7.846   0.998  1.00  0.00           C  
HETATM   33  C   UNL     1      11.072  -7.753   0.475  1.00  0.00           C  
HETATM   34  C   UNL     1      10.824  -8.872  -0.503  1.00  0.00           C  
HETATM   35  C   UNL     1       9.777  -9.647  -0.360  1.00  0.00           C  
HETATM   36  C   UNL     1       8.728  -9.314   0.669  1.00  0.00           C  
HETATM   37  C   UNL     1       7.354  -9.263  -0.001  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.565   4.051  -1.379  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.125   2.441  -0.572  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.510   1.056  -0.116  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.993   1.037   0.259  1.00  0.00           C  
HETATM   42  C   UNL     1      -9.384  -0.368   0.721  1.00  0.00           C  
HETATM   43  C   UNL     1     -10.867  -0.388   1.096  1.00  0.00           C  
HETATM   44  C   UNL     1     -11.257  -1.793   1.559  1.00  0.00           C  
HETATM   45  C   UNL     1     -12.741  -1.813   1.934  1.00  0.00           C  
HETATM   46  C   UNL     1     -13.131  -3.218   2.397  1.00  0.00           C  
HETATM   47  C   UNL     1     -14.614  -3.238   2.771  1.00  0.00           C  
HETATM   48  C   UNL     1     -15.005  -4.643   3.234  1.00  0.00           C  
HETATM   49  C   UNL     1     -16.488  -4.663   3.609  1.00  0.00           C  
HETATM   50  C   UNL     1     -16.878  -6.068   4.072  1.00  0.00           C  
HETATM   51  N   UNL     1      -6.150  -3.036  -1.527  1.00  0.00           N1+
HETATM   52  O   UNL     1      -2.544   0.327  -3.619  1.00  0.00           O  
HETATM   53  O   UNL     1      -4.365  -0.819  -2.299  1.00  0.00           O  
HETATM   54  O   UNL     1      -4.149   1.801  -2.346  1.00  0.00           O  
HETATM   55  O   UNL     1      -3.261   3.923  -0.602  1.00  0.00           O  
HETATM   56  O   UNL     1      -1.733   5.251  -1.487  1.00  0.00           O  
HETATM   57  O   UNL     1      -5.864   2.695  -0.952  1.00  0.00           O  
HETATM   58  O   UNL     1      -7.953   3.321  -0.594  1.00  0.00           O  
HETATM   59  O   UNL     1      -4.900   0.505  -4.507  1.00  0.00           O  
HETATM   60  P   UNL     1      -3.958   0.451  -3.202  1.00  0.00           P  
HETATM   61  H   UNL     1      -3.886   5.140  -2.176  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.330   3.312  -3.743  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.705   3.101  -3.048  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.658   4.696   1.518  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.903   3.299   0.715  1.00  0.00           H  
HETATM   66  H   UNL     1       0.626   4.826  -0.502  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.129   6.223   0.302  1.00  0.00           H  
HETATM   68  H   UNL     1       0.550   5.319   2.509  1.00  0.00           H  
HETATM   69  H   UNL     1       1.305   3.922   1.705  1.00  0.00           H  
HETATM   70  H   UNL     1       2.834   5.449   0.488  1.00  0.00           H  
HETATM   71  H   UNL     1       2.078   6.846   1.292  1.00  0.00           H  
HETATM   72  H   UNL     1       2.757   5.942   3.499  1.00  0.00           H  
HETATM   73  H   UNL     1       3.512   4.545   2.695  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.154  -2.361  -2.951  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.794  -2.328  -3.643  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.403  -4.143  -1.899  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.231  -2.845  -0.693  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.480  -4.490  -3.008  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.852  -3.397  -2.705  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.428  -2.811  -3.598  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.149  -3.597   0.497  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.692  -3.848  -0.354  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.320  -4.941  -0.657  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.347  -1.027  -2.109  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.598  -1.613  -0.987  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.954  -1.280  -0.392  1.00  0.00           H  
HETATM   87  H   UNL     1       5.041   6.072   1.479  1.00  0.00           H  
HETATM   88  H   UNL     1       4.286   7.469   2.283  1.00  0.00           H  
HETATM   89  H   UNL     1       5.080   6.384   4.568  1.00  0.00           H  
HETATM   90  H   UNL     1       7.321   5.616   4.227  1.00  0.00           H  
HETATM   91  H   UNL     1       7.508   4.798   1.724  1.00  0.00           H  
HETATM   92  H   UNL     1       6.541   6.225   1.282  1.00  0.00           H  
HETATM   93  H   UNL     1       8.509   7.689   2.265  1.00  0.00           H  
HETATM   94  H   UNL     1      10.566   6.688   1.560  1.00  0.00           H  
HETATM   95  H   UNL     1      10.179   4.076   1.457  1.00  0.00           H  
HETATM   96  H   UNL     1       8.594   4.435   0.730  1.00  0.00           H  
HETATM   97  H   UNL     1       9.915   5.578  -1.250  1.00  0.00           H  
HETATM   98  H   UNL     1      11.797   4.189  -1.757  1.00  0.00           H  
HETATM   99  H   UNL     1      12.604   3.128   0.535  1.00  0.00           H  
HETATM  100  H   UNL     1      10.883   2.852   0.893  1.00  0.00           H  
HETATM  101  H   UNL     1      10.696   1.410  -1.115  1.00  0.00           H  
HETATM  102  H   UNL     1      12.418   1.686  -1.473  1.00  0.00           H  
HETATM  103  H   UNL     1      13.033   0.672   0.705  1.00  0.00           H  
HETATM  104  H   UNL     1      11.311   0.397   1.063  1.00  0.00           H  
HETATM  105  H   UNL     1      11.124  -1.046  -0.946  1.00  0.00           H  
HETATM  106  H   UNL     1      12.846  -0.770  -1.304  1.00  0.00           H  
HETATM  107  H   UNL     1      13.461  -1.783   0.874  1.00  0.00           H  
HETATM  108  H   UNL     1      11.739  -2.059   1.232  1.00  0.00           H  
HETATM  109  H   UNL     1      11.552  -3.501  -0.776  1.00  0.00           H  
HETATM  110  H   UNL     1      13.274  -3.226  -1.134  1.00  0.00           H  
HETATM  111  H   UNL     1      13.889  -4.239   1.044  1.00  0.00           H  
HETATM  112  H   UNL     1      12.168  -4.514   1.402  1.00  0.00           H  
HETATM  113  H   UNL     1      11.981  -5.957  -0.607  1.00  0.00           H  
HETATM  114  H   UNL     1      13.702  -5.681  -0.965  1.00  0.00           H  
HETATM  115  H   UNL     1      14.303  -6.885   1.239  1.00  0.00           H  
HETATM  116  H   UNL     1      12.791  -8.711   1.566  1.00  0.00           H  
HETATM  117  H   UNL     1      10.370  -7.834   1.305  1.00  0.00           H  
HETATM  118  H   UNL     1      10.933  -6.795  -0.026  1.00  0.00           H  
HETATM  119  H   UNL     1      11.509  -9.035  -1.322  1.00  0.00           H  
HETATM  120  H   UNL     1       9.666 -10.524  -0.980  1.00  0.00           H  
HETATM  121  H   UNL     1       8.726 -10.079   1.446  1.00  0.00           H  
HETATM  122  H   UNL     1       8.952  -8.345   1.115  1.00  0.00           H  
HETATM  123  H   UNL     1       7.131 -10.232  -0.447  1.00  0.00           H  
HETATM  124  H   UNL     1       6.595  -9.022   0.744  1.00  0.00           H  
HETATM  125  H   UNL     1       7.357  -8.498  -0.777  1.00  0.00           H  
HETATM  126  H   UNL     1      -5.770   4.742  -0.562  1.00  0.00           H  
HETATM  127  H   UNL     1      -6.187   4.307  -2.237  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.329   0.345  -0.922  1.00  0.00           H  
HETATM  129  H   UNL     1      -6.912   0.781   0.753  1.00  0.00           H  
HETATM  130  H   UNL     1      -9.174   1.748   1.065  1.00  0.00           H  
HETATM  131  H   UNL     1      -9.591   1.312  -0.610  1.00  0.00           H  
HETATM  132  H   UNL     1      -9.203  -1.080  -0.084  1.00  0.00           H  
HETATM  133  H   UNL     1      -8.786  -0.644   1.590  1.00  0.00           H  
HETATM  134  H   UNL     1     -11.047   0.323   1.902  1.00  0.00           H  
HETATM  135  H   UNL     1     -11.465  -0.112   0.228  1.00  0.00           H  
HETATM  136  H   UNL     1     -11.077  -2.504   0.753  1.00  0.00           H  
HETATM  137  H   UNL     1     -10.659  -2.069   2.428  1.00  0.00           H  
HETATM  138  H   UNL     1     -12.921  -1.102   2.740  1.00  0.00           H  
HETATM  139  H   UNL     1     -13.339  -1.537   1.065  1.00  0.00           H  
HETATM  140  H   UNL     1     -12.950  -3.929   1.590  1.00  0.00           H  
HETATM  141  H   UNL     1     -12.533  -3.494   3.265  1.00  0.00           H  
HETATM  142  H   UNL     1     -14.795  -2.527   3.577  1.00  0.00           H  
HETATM  143  H   UNL     1     -15.212  -2.962   1.903  1.00  0.00           H  
HETATM  144  H   UNL     1     -14.824  -5.354   2.428  1.00  0.00           H  
HETATM  145  H   UNL     1     -14.407  -4.919   4.103  1.00  0.00           H  
HETATM  146  H   UNL     1     -16.669  -3.951   4.415  1.00  0.00           H  
HETATM  147  H   UNL     1     -17.086  -4.387   2.740  1.00  0.00           H  
HETATM  148  H   UNL     1     -17.935  -6.082   4.339  1.00  0.00           H  
HETATM  149  H   UNL     1     -16.698  -6.779   3.266  1.00  0.00           H  
HETATM  150  H   UNL     1     -16.280  -6.344   4.940  1.00  0.00           H  
HETATM  151  H   UNL     1      -5.843   0.586  -4.308  1.00  0.00           H  
CONECT    1   55    4   56   56                                       
CONECT    2   38   55    3   61                                       
CONECT    3    2   54   62   63                                       
CONECT    4    1    5   64   65                                       
CONECT    5    6    4   66   67                                       
CONECT    6    5    7   68   69                                       
CONECT    7    6    8   70   71                                       
CONECT    8    7   14   72   73                                       
CONECT    9   10   53   74   75                                       
CONECT   10    9   51   76   77                                       
CONECT   11   51   78   79   80                                       
CONECT   12   51   81   82   83                                       
CONECT   13   51   84   85   86                                       
CONECT   14    8   15   87   88                                       
CONECT   15   14   16   16   89                                       
CONECT   16   15   15   17   90                                       
CONECT   17   16   18   91   92                                       
CONECT   18   17   19   19   93                                       
CONECT   19   18   18   20   94                                       
CONECT   20   19   21   95   96                                       
CONECT   21   20   22   22   97                                       
CONECT   22   21   21   23   98                                       
CONECT   23   22   24   99  100                                       
CONECT   24   23   25  101  102                                       
CONECT   25   24   26  103  104                                       
CONECT   26   27   25  105  106                                       
CONECT   27   28   26  107  108                                       
CONECT   28   29   27  109  110                                       
CONECT   29   30   28  111  112                                       
CONECT   30   31   29  113  114                                       
CONECT   31   32   32   30  115                                       
CONECT   32   33   31   31  116                                       
CONECT   33   34   32  117  118                                       
CONECT   34   35   35   33  119                                       
CONECT   35   36   34   34  120                                       
CONECT   36   37   35  121  122                                       
CONECT   37   36  123  124  125                                       
CONECT   38   57    2  126  127                                       
CONECT   39   40   58   58   57                                       
CONECT   40   41   39  128  129                                       
CONECT   41   42   40  130  131                                       
CONECT   42   43   41  132  133                                       
CONECT   43   44   42  134  135                                       
CONECT   44   43   45  136  137                                       
CONECT   45   44   46  138  139                                       
CONECT   46   45   47  140  141                                       
CONECT   47   46   48  142  143                                       
CONECT   48   47   49  144  145                                       
CONECT   49   50   48  146  147                                       
CONECT   50   49  148  149  150                                       
CONECT   51   10   11   13   12                                       
CONECT   52   60   60                                                 
CONECT   53   60    9                                                 
CONECT   54    3   60                                                 
CONECT   55    2    1                                                 
CONECT   56    1    1                                                 
CONECT   57   39   38                                                 
CONECT   58   39   39                                                 
CONECT   59   60  151                                                 
CONECT   60   54   52   52   59                                       
CONECT   60   53                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   11                                                      
CONECT   81   12                                                      
CONECT   82   12                                                      
CONECT   83   12                                                      
CONECT   84   13                                                      
CONECT   85   13                                                      
CONECT   86   13                                                      
CONECT   87   14                                                      
CONECT   88   14                                                      
CONECT   89   15                                                      
CONECT   90   16                                                      
CONECT   91   17                                                      
CONECT   92   17                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   20                                                      
CONECT   96   20                                                      
CONECT   97   21                                                      
CONECT   98   22                                                      
CONECT   99   23                                                      
CONECT  100   23                                                      
CONECT  101   24                                                      
CONECT  102   24                                                      
CONECT  103   25                                                      
CONECT  104   25                                                      
CONECT  105   26                                                      
CONECT  106   26                                                      
CONECT  107   27                                                      
CONECT  108   27                                                      
CONECT  109   28                                                      
CONECT  110   28                                                      
CONECT  111   29                                                      
CONECT  112   29                                                      
CONECT  113   30                                                      
CONECT  114   30                                                      
CONECT  115   31                                                      
CONECT  116   32                                                      
CONECT  117   33                                                      
CONECT  118   33                                                      
CONECT  119   34                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   36                                                      
CONECT  123   37                                                      
CONECT  124   37                                                      
CONECT  125   37                                                      
CONECT  126   38                                                      
CONECT  127   38                                                      
CONECT  128   40                                                      
CONECT  129   40                                                      
CONECT  130   41                                                      
CONECT  131   41                                                      
CONECT  132   42                                                      
CONECT  133   42                                                      
CONECT  134   43                                                      
CONECT  135   43                                                      
CONECT  136   44                                                      
CONECT  137   44                                                      
CONECT  138   45                                                      
CONECT  139   45                                                      
CONECT  140   46                                                      
CONECT  141   46                                                      
CONECT  142   47                                                      
CONECT  143   47                                                      
CONECT  144   48                                                      
CONECT  145   48                                                      
CONECT  146   49                                                      
CONECT  147   49                                                      
CONECT  148   50                                                      
CONECT  149   50                                                      
CONECT  150   50                                                      
CONECT  151   59                                                      
MASTER        0    0    0    0    0    0    0    0  151    0  151    0
END
