COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      32.777 -51.690   5.915  1.00  0.00           N  
HETATM    2  N   UNL     1      34.294 -52.815   9.486  1.00  0.00           N  
HETATM    3  O   UNL     1      31.011 -53.592   8.934  1.00  0.00           O  
HETATM    4  C   UNL     1      31.856 -53.499   7.980  1.00  0.00           C  
HETATM    5  C   UNL     1      32.788 -50.211   9.932  1.00  0.00           C  
HETATM    6  C   UNL     1      32.045 -50.538   5.642  1.00  0.00           C  
HETATM    7  C   UNL     1      34.358 -54.209   5.464  1.00  0.00           C  
HETATM    8  C   UNL     1      34.997 -53.979   9.728  1.00  0.00           C  
HETATM    9  C   UNL     1      32.016 -49.000  10.138  1.00  0.00           C  
HETATM   10  C   UNL     1      31.798 -50.519   4.202  1.00  0.00           C  
HETATM   11  C   UNL     1      35.207 -55.371   5.225  1.00  0.00           C  
HETATM   12  C   UNL     1      35.265 -54.038  11.169  1.00  0.00           C  
HETATM   13  C   UNL     1      31.521 -48.618   8.955  1.00  0.00           C  
HETATM   14  C   UNL     1      32.361 -51.617   3.707  1.00  0.00           C  
HETATM   15  C   UNL     1      35.648 -55.755   6.422  1.00  0.00           C  
HETATM   16  C   UNL     1      34.739 -52.957  11.738  1.00  0.00           C  
HETATM   17  C   UNL     1      31.932 -49.581   7.942  1.00  0.00           C  
HETATM   18  C   UNL     1      32.974 -52.358   4.749  1.00  0.00           C  
HETATM   19  C   UNL     1      35.146 -54.861   7.451  1.00  0.00           C  
HETATM   20  C   UNL     1      34.116 -52.152  10.694  1.00  0.00           C  
HETATM   21  C   UNL     1      31.822 -48.251  11.479  1.00  0.00           C  
HETATM   22  C   UNL     1      32.432 -52.097   2.263  1.00  0.00           C  
HETATM   23  C   UNL     1      36.590 -56.939   6.646  1.00  0.00           C  
HETATM   24  C   UNL     1      34.803 -52.644  13.249  1.00  0.00           C  
HETATM   25  C   UNL     1      30.461 -48.548  12.130  1.00  0.00           C  
HETATM   26  C   UNL     1      32.018 -51.276   1.312  1.00  0.00           C  
HETATM   27  C   UNL     1      36.192 -57.850   7.537  1.00  0.00           C  
HETATM   28  C   UNL     1      35.837 -51.550  13.515  1.00  0.00           C  
HETATM   29  C   UNL     1      30.371 -47.735  13.394  1.00  0.00           C  
HETATM   30  C   UNL     1      35.731 -51.191  14.977  1.00  0.00           C  
HETATM   31  C   UNL     1      33.461 -50.943  10.888  1.00  0.00           C  
HETATM   32  C   UNL     1      31.640 -49.584   6.586  1.00  0.00           C  
HETATM   33  C   UNL     1      33.659 -53.502   4.532  1.00  0.00           C  
HETATM   34  C   UNL     1      35.392 -54.911   8.793  1.00  0.00           C  
HETATM   35  C   UNL     1      30.654 -47.365   8.757  1.00  0.00           C  
HETATM   36  C   UNL     1      31.028 -49.443   3.410  1.00  0.00           C  
HETATM   37  C   UNL     1      35.530 -56.073   3.879  1.00  0.00           C  
HETATM   38  C   UNL     1      36.021 -55.150  11.954  1.00  0.00           C  
HETATM   39  N   UNL     1      32.690 -50.542   8.589  1.00  0.00           N  
HETATM   40  N   UNL     1      34.361 -53.922   6.819  1.00  0.00           N  
HETATM   41  O   UNL     1      31.009 -46.645  13.376  1.00  0.00           O  
HETATM   42  O   UNL     1      34.698 -51.567  15.584  1.00  0.00           O  
HETATM   43  O   UNL     1      29.692 -48.136  14.383  1.00  0.00           O  
HETATM   44  O   UNL     1      36.647 -50.547  15.557  1.00  0.00           O  
HETATM   45 IR   UNL     1      33.560 -52.222   7.651  1.00  0.00          Ir  
HETATM   46  H   UNL     1      32.619 -48.558  12.172  1.00  0.00           H  
HETATM   47  H   UNL     1      31.895 -47.169  11.292  1.00  0.00           H  
HETATM   48  H   UNL     1      32.810 -53.080   2.023  1.00  0.00           H  
HETATM   49  H   UNL     1      37.525 -57.033   6.113  1.00  0.00           H  
HETATM   50  H   UNL     1      33.815 -52.302  13.592  1.00  0.00           H  
HETATM   51  H   UNL     1      35.087 -53.554  13.797  1.00  0.00           H  
HETATM   52  H   UNL     1      29.648 -48.266  11.444  1.00  0.00           H  
HETATM   53  H   UNL     1      30.385 -49.619  12.368  1.00  0.00           H  
HETATM   54  H   UNL     1      32.055 -51.585   0.278  1.00  0.00           H  
HETATM   55  H   UNL     1      31.643 -50.297   1.570  1.00  0.00           H  
HETATM   56  H   UNL     1      36.811 -58.711   7.742  1.00  0.00           H  
HETATM   57  H   UNL     1      35.251 -57.726   8.053  1.00  0.00           H  
HETATM   58  H   UNL     1      36.847 -51.922  13.289  1.00  0.00           H  
HETATM   59  H   UNL     1      35.623 -50.668  12.893  1.00  0.00           H  
HETATM   60  H   UNL     1      33.480 -50.535  11.888  1.00  0.00           H  
HETATM   61  H   UNL     1      31.038 -48.766   6.219  1.00  0.00           H  
HETATM   62  H   UNL     1      33.652 -53.893   3.525  1.00  0.00           H  
HETATM   63  H   UNL     1      35.949 -55.762   9.156  1.00  0.00           H  
HETATM   64  H   UNL     1      29.594 -47.627   8.890  1.00  0.00           H  
HETATM   65  H   UNL     1      30.939 -46.602   9.496  1.00  0.00           H  
HETATM   66  H   UNL     1      30.809 -46.969   7.743  1.00  0.00           H  
HETATM   67  H   UNL     1      30.682 -48.658   4.098  1.00  0.00           H  
HETATM   68  H   UNL     1      31.691 -49.000   2.652  1.00  0.00           H  
HETATM   69  H   UNL     1      30.161 -49.903   2.914  1.00  0.00           H  
HETATM   70  H   UNL     1      36.206 -56.922   4.060  1.00  0.00           H  
HETATM   71  H   UNL     1      34.598 -56.438   3.423  1.00  0.00           H  
HETATM   72  H   UNL     1      36.015 -55.357   3.199  1.00  0.00           H  
HETATM   73  H   UNL     1      36.049 -54.891  13.023  1.00  0.00           H  
HETATM   74  H   UNL     1      35.500 -56.110  11.823  1.00  0.00           H  
HETATM   75  H   UNL     1      37.049 -55.235  11.571  1.00  0.00           H  
HETATM   76  H   UNL     1      34.745 -51.290  16.492  1.00  0.00           H  
HETATM   77  H   UNL     1      29.744 -47.497  15.084  1.00  0.00           H  
HETATM   78  H   UNL     1      31.681 -54.201   7.178  1.00  0.00           H  
CONECT    1   18   18    6   45                                       
CONECT    2   45    8    8   20                                       
CONECT    3    4    4                                                 
CONECT    4   45    3    3   78                                       
CONECT    5   39    9    9   31                                       
CONECT    6   10    1   32   32                                       
CONECT    7   33   33   11   40                                       
CONECT    8   34    2    2   12                                       
CONECT    9   13    5    5   21                                       
CONECT   10   36   14   14    6                                       
CONECT   11   37    7   15   15                                       
CONECT   12    8   16   16   38                                       
CONECT   13   17   17   35    9                                       
CONECT   14   22   10   10   18                                       
CONECT   15   11   11   23   19                                       
CONECT   16   20   12   12   24                                       
CONECT   17   32   39   13   13                                       
CONECT   18   14   33    1    1                                       
CONECT   19   15   40   34   34                                       
CONECT   20    2   31   31   16                                       
CONECT   21    9   25   46   47                                       
CONECT   22   26   26   14   48                                       
CONECT   23   15   27   27   49                                       
CONECT   24   16   28   50   51                                       
CONECT   25   21   29   52   53                                       
CONECT   26   22   22   54   55                                       
CONECT   27   23   23   56   57                                       
CONECT   28   24   30   58   59                                       
CONECT   29   25   41   41   43                                       
CONECT   30   28   44   44   42                                       
CONECT   31    5   20   20   60                                       
CONECT   32    6    6   17   61                                       
CONECT   33   18    7    7   62                                       
CONECT   34   19   19    8   63                                       
CONECT   35   13   64   65   66                                       
CONECT   36   10   67   68   69                                       
CONECT   37   11   70   71   72                                       
CONECT   38   12   73   74   75                                       
CONECT   39   45   17    5                                            
CONECT   40    7   19   45                                            
CONECT   41   29   29                                                 
CONECT   42   30   76                                                 
CONECT   43   29   77                                                 
CONECT   44   30   30                                                 
CONECT   45    1   40    4   39                                       
CONECT   45    2                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
CONECT   53   25                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   33                                                      
CONECT   63   34                                                      
CONECT   64   35                                                      
CONECT   65   35                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   36                                                      
CONECT   69   36                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   42                                                      
CONECT   77   43                                                      
CONECT   78    4                                                      
MASTER        0    0    0    0    0    0    0    0   78    0   78    0
END
