COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      12.118  32.369   9.962  1.00  0.00           C  
HETATM    2  C   UNL     1      12.842  32.298  11.145  1.00  0.00           C  
HETATM    3  C   UNL     1      13.993  31.547  11.209  1.00  0.00           C  
HETATM    4  C   UNL     1      14.413  30.888  10.077  1.00  0.00           C  
HETATM    5  C   UNL     1      13.718  30.991   8.888  1.00  0.00           C  
HETATM    6  C   UNL     1      12.547  31.720   8.822  1.00  0.00           C  
HETATM    7  C   UNL     1      11.762  31.793   7.539  1.00  0.00           C  
HETATM    8  C   UNL     1      12.346  32.472   6.510  1.00  0.00           C  
HETATM    9  C   UNL     1      13.559  33.113   6.509  1.00  0.00           C  
HETATM   10  C   UNL     1      13.756  33.667   5.280  1.00  0.00           C  
HETATM   11  N   UNL     1      11.794  32.685   5.288  1.00  0.00           N  
HETATM   12  C   UNL     1      12.651  33.396   4.517  1.00  0.00           C  
HETATM   13  C   UNL     1      12.411  33.808   3.223  1.00  0.00           C  
HETATM   14  C   UNL     1      13.549  34.494   2.552  1.00  0.00           C  
HETATM   15  C   UNL     1      14.773  33.859   2.420  1.00  0.00           C  
HETATM   16  C   UNL     1      15.824  34.499   1.779  1.00  0.00           C  
HETATM   17  C   UNL     1      15.674  35.758   1.235  1.00  0.00           C  
HETATM   18  C   UNL     1      14.452  36.387   1.362  1.00  0.00           C  
HETATM   19  C   UNL     1      13.414  35.769   2.045  1.00  0.00           C  
HETATM   20 CR   UNL     1       9.895  32.110   4.698  1.00  0.00          Cr  
HETATM   21  N   UNL     1       9.617  31.172   6.552  1.00  0.00           N  
HETATM   22  C   UNL     1       8.508  30.485   6.928  1.00  0.00           C  
HETATM   23  C   UNL     1       8.739  30.038   8.201  1.00  0.00           C  
HETATM   24  C   UNL     1       9.976  30.442   8.594  1.00  0.00           C  
HETATM   25  C   UNL     1      10.513  31.191   7.576  1.00  0.00           C  
HETATM   26  N   UNL     1      10.129  33.020   2.853  1.00  0.00           N  
HETATM   27  C   UNL     1      11.268  33.658   2.465  1.00  0.00           C  
HETATM   28  C   UNL     1      11.044  34.147   1.204  1.00  0.00           C  
HETATM   29  C   UNL     1       9.802  33.770   0.834  1.00  0.00           C  
HETATM   30  C   UNL     1       9.236  33.032   1.851  1.00  0.00           C  
HETATM   31  C   UNL     1       7.982  32.457   1.874  1.00  0.00           C  
HETATM   32  C   UNL     1       7.236  32.545   0.576  1.00  0.00           C  
HETATM   33  C   UNL     1       5.972  33.116   0.480  1.00  0.00           C  
HETATM   34  C   UNL     1       5.296  33.215  -0.730  1.00  0.00           C  
HETATM   35  C   UNL     1       5.896  32.723  -1.873  1.00  0.00           C  
HETATM   36  C   UNL     1       7.147  32.149  -1.797  1.00  0.00           C  
HETATM   37  C   UNL     1       7.794  32.069  -0.580  1.00  0.00           C  
HETATM   38  N   UNL     1       7.986  31.491   4.127  1.00  0.00           N  
HETATM   39  C   UNL     1       7.421  31.727   2.898  1.00  0.00           C  
HETATM   40  C   UNL     1       6.198  31.081   2.877  1.00  0.00           C  
HETATM   41  C   UNL     1       6.038  30.508   4.081  1.00  0.00           C  
HETATM   42  C   UNL     1       7.142  30.742   4.866  1.00  0.00           C  
HETATM   43  C   UNL     1       7.378  30.271   6.154  1.00  0.00           C  
HETATM   44  C   UNL     1       6.314  29.447   6.815  1.00  0.00           C  
HETATM   45  C   UNL     1       5.211  29.988   7.405  1.00  0.00           C  
HETATM   46  C   UNL     1       4.233  29.214   8.005  1.00  0.00           C  
HETATM   47  C   UNL     1       4.380  27.826   8.030  1.00  0.00           C  
HETATM   48  C   UNL     1       5.482  27.244   7.467  1.00  0.00           C  
HETATM   49  C   UNL     1       6.401  28.069   6.846  1.00  0.00           C  
HETATM   50  H   UNL     1      11.203  32.942   9.934  1.00  0.00           H  
HETATM   51  H   UNL     1      12.500  32.834  12.018  1.00  0.00           H  
HETATM   52  H   UNL     1      14.555  31.476  12.129  1.00  0.00           H  
HETATM   53  H   UNL     1      15.303  30.278  10.119  1.00  0.00           H  
HETATM   54  H   UNL     1      14.093  30.498   8.003  1.00  0.00           H  
HETATM   55  H   UNL     1      14.243  33.169   7.343  1.00  0.00           H  
HETATM   56  H   UNL     1      14.628  34.221   4.964  1.00  0.00           H  
HETATM   57  H   UNL     1      14.909  32.864   2.817  1.00  0.00           H  
HETATM   58  H   UNL     1      16.780  34.001   1.704  1.00  0.00           H  
HETATM   59  H   UNL     1      16.493  36.240   0.722  1.00  0.00           H  
HETATM   60  H   UNL     1      14.303  37.365   0.928  1.00  0.00           H  
HETATM   61  H   UNL     1      12.482  36.297   2.182  1.00  0.00           H  
HETATM   62  H   UNL     1       8.050  29.458   8.797  1.00  0.00           H  
HETATM   63  H   UNL     1      10.451  30.215   9.537  1.00  0.00           H  
HETATM   64  H   UNL     1      11.736  34.729   0.613  1.00  0.00           H  
HETATM   65  H   UNL     1       9.328  34.008  -0.107  1.00  0.00           H  
HETATM   66  H   UNL     1       5.500  33.495   1.375  1.00  0.00           H  
HETATM   67  H   UNL     1       4.317  33.669  -0.776  1.00  0.00           H  
HETATM   68  H   UNL     1       5.387  32.788  -2.823  1.00  0.00           H  
HETATM   69  H   UNL     1       7.620  31.763  -2.688  1.00  0.00           H  
HETATM   70  H   UNL     1       8.773  31.616  -0.539  1.00  0.00           H  
HETATM   71  H   UNL     1       5.504  31.044   2.050  1.00  0.00           H  
HETATM   72  H   UNL     1       5.169  29.945   4.388  1.00  0.00           H  
HETATM   73  H   UNL     1       5.096  31.062   7.404  1.00  0.00           H  
HETATM   74  H   UNL     1       3.365  29.679   8.449  1.00  0.00           H  
HETATM   75  H   UNL     1       3.623  27.211   8.494  1.00  0.00           H  
HETATM   76  H   UNL     1       5.629  26.175   7.506  1.00  0.00           H  
HETATM   77  H   UNL     1       7.242  27.605   6.353  1.00  0.00           H  
CONECT    1    6    2    2   50                                       
CONECT    2    1    1    3   51                                       
CONECT    3    4    4    2   52                                       
CONECT    4    5    3    3   53                                       
CONECT    5    6    6    4   54                                       
CONECT    6    7    5    5    1                                       
CONECT    7    8    8   25    6                                       
CONECT    8   11    9    7    7                                       
CONECT    9   10   10    8   55                                       
CONECT   10   12    9    9   56                                       
CONECT   11   12   20    8                                            
CONECT   12   13   13   10   11                                       
CONECT   13   27   14   12   12                                       
CONECT   14   19   19   15   13                                       
CONECT   15   16   16   14   57                                       
CONECT   16   17   15   15   58                                       
CONECT   17   18   18   16   59                                       
CONECT   18   17   17   19   60                                       
CONECT   19   18   14   14   61                                       
CONECT   20   26   38   11   21                                       
CONECT   21   20   22   25   25                                       
CONECT   22   43   43   21   23                                       
CONECT   23   22   24   24   62                                       
CONECT   24   25   23   23   63                                       
CONECT   25   21   21    7   24                                       
CONECT   26   30   27   27   20                                       
CONECT   27   28   26   26   13                                       
CONECT   28   29   29   27   64                                       
CONECT   29   28   28   30   65                                       
CONECT   30   29   31   31   26                                       
CONECT   31   32   30   30   39                                       
CONECT   32   37   37   33   31                                       
CONECT   33   34   34   32   66                                       
CONECT   34   35   33   33   67                                       
CONECT   35   36   36   34   68                                       
CONECT   36   35   35   37   69                                       
CONECT   37   36   32   32   70                                       
CONECT   38   39   20   42                                            
CONECT   39   31   40   40   38                                       
CONECT   40   39   39   41   71                                       
CONECT   41   40   42   42   72                                       
CONECT   42   41   41   38   43                                       
CONECT   43   42   44   22   22                                       
CONECT   44   43   49   49   45                                       
CONECT   45   44   46   46   73                                       
CONECT   46   45   45   47   74                                       
CONECT   47   48   48   46   75                                       
CONECT   48   49   47   47   76                                       
CONECT   49   44   44   48   77                                       
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    3                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   15                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   33                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   45                                                      
CONECT   74   46                                                      
CONECT   75   47                                                      
CONECT   76   48                                                      
CONECT   77   49                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
