166177190
  -OEChem-06292407182D

624635  0     1  0  0  0  0  0999 V2000
    7.5000  -20.3500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -20.1500    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333    0.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   16.1538  -14.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6923   -8.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2727  -18.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8182  -10.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4286  -24.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5385  -16.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -22.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -22.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3750  -34.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8750  -34.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.8235  -28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5714  -42.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5556  -36.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857  -39.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -46.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.6923  -38.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000  -30.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6250  -34.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882  -28.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.3333  -30.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636  -48.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8750  -34.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.5294  -28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846  -16.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.7778  -35.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -36.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4286  -44.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333  -22.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1111  -36.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412  -27.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4615  -16.1500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176  -28.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.9231   -8.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692  -16.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714  -41.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2222  -50.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -49.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091  -10.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091  -48.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462   -7.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -58.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -54.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -66.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -60.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -66.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -72.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -72.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -96.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -78.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -90.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -84.3500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2308   -7.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.2500   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.0909  -18.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -12.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.8182  -18.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -28.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0769  -38.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1250  -33.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.3750  -34.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000  -25.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.6667  -30.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7143  -40.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.3529  -31.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429  -44.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143  -24.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1250  -33.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5000  -26.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1176  -32.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.4286  -40.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7059  -28.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333  -12.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.1818  -48.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -12.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4615   -8.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9091  -18.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143  -40.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3077  -38.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429  -42.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -46.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.1667  -46.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333  -12.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8571  -24.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429  -44.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -6.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667  -45.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8889  -50.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111  -50.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846   -8.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333  -20.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -50.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5556  -49.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -58.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -56.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857  -23.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.7143  -24.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -66.1500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -62.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -98.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -68.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -92.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -74.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -80.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -86.3500    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.2727  -10.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   15.8333  -12.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -12.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.1667  -11.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.0909  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6923  -14.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   18.7500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000   -2.3500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0000   -4.3500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.7500   -6.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.1538  -16.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6923  -16.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0769   -7.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6154   -8.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6154  -15.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5385   -8.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -20.3500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   13.6364  -10.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4545   -9.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8333  -12.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8333  -21.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   17.5000  -22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0769  -13.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6154  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8571  -23.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0769  -16.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   13.6364  -18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5000  -26.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5000  -25.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1667  -19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8333  -20.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4118  -28.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2353  -27.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3333  -29.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8333  -20.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -20.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -24.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5000  -26.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6667  -29.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.6471  -31.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0588  -28.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8824  -28.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1765  -32.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0000  -30.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8235  -32.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000  -30.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -30.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5000  -26.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6667  -35.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4118  -32.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6154  -38.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -39.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429  -40.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429  -24.3500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.2222  -35.8000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    8.4615  -38.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5714  -40.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8750  -34.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -41.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    7.8571  -40.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1667  -22.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -37.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7143  -42.0000    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.7647  -28.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    2.0000  -30.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9412  -31.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5882  -32.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6667  -30.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8571  -44.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5714  -44.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857  -43.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5294  -32.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8571  -42.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2857  -41.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3333  -36.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706  -28.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7647  -32.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3750  -34.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5000  -26.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750  -34.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   19.2308  -38.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.3333  -30.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.1765  -28.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333  -46.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -46.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1818  -18.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -46.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5556  -36.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8571  -40.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2941  -32.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7778  -36.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8889  -36.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5714  -24.1500    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   14.0000  -29.8000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.5000  -22.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.9231  -16.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0588  -31.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8824  -32.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2857  -41.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5000  -25.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692  -38.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6250  -34.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8333  -21.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9231  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429  -24.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1250  -33.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4286  -42.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8889  -36.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.8333  -20.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846  -14.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1818  -10.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6250  -34.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2857  -43.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8571  -44.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0000  -10.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462  -37.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -36.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1111  -35.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1429  -40.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8333  -46.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3077  -16.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   10.0000  -18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4615  -14.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -15.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4286  -40.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -25.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273  -18.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7500   -6.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143  -42.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4286  -42.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6364  -47.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4545  -48.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692  -14.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714  -39.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0000   -4.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667  -19.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -42.0000    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.0000  -48.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273  -10.1500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    6.4286  -44.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667  -21.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2727  -48.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000   -2.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8333  -22.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -12.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4444  -50.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -24.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714  -43.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7692   -8.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462  -13.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4286  -24.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3500    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4444  -52.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000   -2.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000  -26.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8462  -15.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5000  -26.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8333  -46.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2941  -28.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -54.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7500   -6.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636  -18.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454  -47.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7273  -48.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -56.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111  -52.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -52.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -22.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -60.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -54.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -62.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -64.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -58.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -58.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -60.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -68.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -68.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -64.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -64.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -70.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -66.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -96.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -70.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -70.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -94.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -72.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -90.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -94.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -76.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -76.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -78.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -88.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -84.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -82.1500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -82.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -88.3500    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -12.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8889  -11.7231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6819  -14.3874    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2308  -13.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4242  -13.8267    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2015  -11.6178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3415   -9.2948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1339  -10.3527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2308  -16.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0735   -4.8301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1932   -2.4917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0000   -3.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2500   -5.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1538   -8.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5830  -14.6937    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8476  -17.5708    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7247  -17.3063    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2756   -6.8361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9312   -9.4915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7648   -8.8656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4810   -9.8505    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4659   -7.1344    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2141  -14.3133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1287  -17.2012    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0166  -17.2867    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1667  -20.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2675   -7.2672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9172  -10.0825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7325   -9.4328    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1667  -22.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -11.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1394  -11.3634    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0180  -11.1151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7697   -8.2366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7904  -12.1353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9370   -4.1139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4639   -2.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0630   -0.1861    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2857  -24.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4570  -22.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -24.0430    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5430  -22.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5385  -14.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8665  -15.4458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7228  -15.0104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2873  -12.1542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7177  -15.8352    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4506  -14.8977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5131  -12.1648    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4545  -17.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -26.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3543  -17.0444    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4526  -25.3989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5348  -25.6170    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2217  -20.4251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7918  -21.7450    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1117  -19.1749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5174  -21.5627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3961  -21.3159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1493  -18.4373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4528  -28.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2273  -28.1763    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7976  -31.7895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0005  -19.4475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9308  -22.1828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6662  -21.2525    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0006  -23.9359    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5330  -25.7719    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -32.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7260  -31.1047    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1951  -33.7924    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9632  -27.4104    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8408  -28.4258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6250  -34.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0856  -29.2866    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9793  -29.4939    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.7878  -29.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0495  -31.5985    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1538  -37.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6531  -38.2962    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3584  -36.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4121  -41.8010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9955  -39.3620    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1527  -39.8884    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1043  -42.3926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5000  -26.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5385  -38.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3333  -36.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4444  -36.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.1952  -39.2308    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9573  -36.7584    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0000  -43.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8361  -39.8513    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2065  -22.7259    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5294  -20.6279    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4444  -36.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7143  -44.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -29.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6471  -27.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0325  -29.5997    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9407  -29.5117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5952  -33.7355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8048  -30.9630    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4522  -32.4529    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8734  -34.3730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1429  -42.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7059  -32.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1250  -33.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5522  -42.5780    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8333  -45.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5775  -42.3651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3283  -45.1926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5597  -32.2273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6625  -32.8297    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8142  -42.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8571  -44.1930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9001  -42.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7412  -43.1373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6230  -43.3445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8302  -40.4627    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4082  -33.8001    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6667  -36.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.2857  -39.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4706  -32.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4549  -44.4921    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3254  -47.3784    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2117  -47.5079    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4834  -46.0226    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1726  -48.3666    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5166  -46.6774    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9177  -19.4272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6218  -16.9008    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7954  -34.8175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144  -37.1727    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.2775  -38.8544    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4319  -41.6137    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5000  -26.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2222  -36.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3529  -27.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1346  -30.6679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3997  -33.1149    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1814  -34.7251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5029  -37.5964    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3742  -37.2749    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8882  -35.9362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4750  -38.3506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8895  -36.7638    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5000  -26.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2353  -32.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5714  -23.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9946  -15.6757    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8860  -15.7837    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3750  -34.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8571  -42.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7825  -32.9004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0955  -30.5062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2459  -42.3758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3907  -40.0816    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3333  -30.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6336  -33.8936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8760  -22.3852    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2182  -20.2980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4232  -23.0469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1855  -24.1128    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7778  -50.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -50.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3846  -38.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3472  -14.1504    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1197  -15.9062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9132  -12.2576    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.2102  -10.1058    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.0170  -44.8846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2435  -43.7448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -45.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3156  -11.7130    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.5915   -8.8691    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8802  -37.2442    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8181  -39.5655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0700  -35.4799    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3299  -38.0800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9300  -36.8201    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1741  -36.4494    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.7605  -37.7370    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0481  -35.1506    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0783  -39.4959    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -20.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4988  -44.6031    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454  -17.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4426  -19.5966    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9967  -17.7493    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9671  -16.3517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0625  -14.0550    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4031  -40.8746    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4426  -38.5764    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -40.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7143  -44.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7062  -17.8515    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560  -17.2392    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8182  -48.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6264  -43.8915    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0909  -48.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1979  -43.3715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3856  -42.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4095  -46.1664    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0028  -49.0269    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8632  -49.4336    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4531  -47.5902    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0447  -50.0015    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4560  -48.4098    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9231  -38.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3449   -2.9523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -5.8254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0000  -44.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3077  -14.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1667  -11.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1864  -46.2472    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4348  -43.9641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2001   -3.2829    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5365   -0.3894    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6667  -30.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3936  -20.6811    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5959  -11.4095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2985  -13.8024    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4707  -50.4113    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9628  -48.1739    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5000  -26.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9712  -42.5300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3014  -45.4003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1717  -45.0700    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8006  -14.3949    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9844  -12.1035    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000  -46.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4711  -24.3925    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2500   -5.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1249   -0.8390    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4560   -2.9398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4621  -51.8559    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4856  -54.1540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3077   -8.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570  -26.0087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8614  -15.3156    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9049  -17.6133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6667  -52.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8889  -51.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4956  -25.9549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3004  -30.1280    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2194  -55.6777    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0140  -52.8142    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2355  -18.8185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4578  -16.2747    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3213  -49.4278    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0711  -46.6112    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5454   -9.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3636  -10.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5556  -51.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7778  -52.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0000  -52.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2222  -52.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5000  -60.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9319  -52.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1111  -54.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1541  -52.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3889  -58.6356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9852  -61.7208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3205  -55.7089    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1192  -52.4408    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9853  -61.8679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5699  -63.8090    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5000  -25.8000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5000  -26.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5000  -26.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5000  -26.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2237  -56.7547    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9047  -59.6262    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7762  -59.9453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4454  -61.9611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4842  -59.6633    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8185  -66.6833    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8083  -70.0094    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7808  -67.3642    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8809  -70.0358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5525  -68.9358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7639  -63.0421    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0254  -65.9195    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9028  -65.6579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5514  -68.1923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3799  -64.4414    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5574  -98.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0235  -95.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.7050   -0.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8048    2.0383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6283    0.1382    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2903  -70.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3333  -72.3930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3763  -70.3500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7693  -73.1715    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9570  -72.1500    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5574  -92.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0235  -89.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412  -92.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031  -95.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588  -96.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412  -74.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031  -77.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588  -78.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5574  -80.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0235  -77.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5574  -86.1155    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0235  -83.8686    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412  -80.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031  -83.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588  -84.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2412  -86.4531    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1031  -89.1087    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7588  -90.2469    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1173  1  0  0  0  0
  1198  1  0  0  0  0
  2215  1  0  0  0  0
  2234  1  0  0  0  0
  3255  1  0  0  0  0
  3266  1  0  0  0  0
111  4  1  1  0  0  0
  4124  1  0  0  0  0
  5117  1  0  0  0  0
  5131  1  0  0  0  0
  6115  2  0  0  0  0
  7121  2  0  0  0  0
  8125  2  0  0  0  0
132  9  1  1  0  0  0
  9360  1  0  0  0  0
 10137  2  0  0  0  0
 11148  1  0  0  0  0
 11149  1  0  0  0  0
 12148  2  0  0  0  0
155 13  1  6  0  0  0
 13398  1  0  0  0  0
 14157  2  0  0  0  0
 15160  2  0  0  0  0
 16169  2  0  0  0  0
 17170  2  0  0  0  0
 18174  2  0  0  0  0
 19183  2  0  0  0  0
 20187  2  0  0  0  0
 21188  2  0  0  0  0
 22189  2  0  0  0  0
 23191  2  0  0  0  0
 24195  2  0  0  0  0
 25199  2  0  0  0  0
 26209  2  0  0  0  0
 27212  2  0  0  0  0
 28216  2  0  0  0  0
 29218  2  0  0  0  0
 30224  1  0  0  0  0
 30519  1  0  0  0  0
 31219  2  0  0  0  0
 32221  2  0  0  0  0
 33224  2  0  0  0  0
 34238  1  0  0  0  0
 34529  1  0  0  0  0
 35235  2  0  0  0  0
 36238  2  0  0  0  0
 37240  2  0  0  0  0
 38245  2  0  0  0  0
 39246  2  0  0  0  0
 40250  2  0  0  0  0
 41254  2  0  0  0  0
 42261  2  0  0  0  0
 43270  2  0  0  0  0
 44273  2  0  0  0  0
 45277  2  0  0  0  0
 46279  2  0  0  0  0
 47284  2  0  0  0  0
 48286  2  0  0  0  0
 49291  2  0  0  0  0
 50292  2  0  0  0  0
 51297  2  0  0  0  0
 52298  2  0  0  0  0
 53302  2  0  0  0  0
 54305  2  0  0  0  0
 55307  2  0  0  0  0
 56109  1  0  0  0  0
 56113  1  0  0  0  0
 56115  1  0  0  0  0
118 57  1  1  0  0  0
 57125  1  0  0  0  0
 57126  1  0  0  0  0
 58121  1  0  0  0  0
 58127  1  0  0  0  0
 58335  1  0  0  0  0
 59128  1  0  0  0  0
 59137  1  0  0  0  0
 59352  1  0  0  0  0
 60138  1  0  0  0  0
 60147  1  0  0  0  0
 60148  1  0  0  0  0
 61151  1  0  0  0  0
 61156  1  0  0  0  0
 61160  1  0  0  0  0
 62161  1  0  0  0  0
 62165  1  0  0  0  0
 62169  1  0  0  0  0
 63157  1  0  0  0  0
 63167  1  0  0  0  0
 63397  1  0  0  0  0
 64162  1  0  0  0  0
 64187  1  0  0  0  0
 64405  1  0  0  0  0
166 65  1  6  0  0  0
 65188  1  0  0  0  0
 65408  1  0  0  0  0
 66176  1  0  0  0  0
 66179  1  0  0  0  0
 66189  1  0  0  0  0
 67174  1  0  0  0  0
 67175  1  0  0  0  0
 67415  1  0  0  0  0
 68170  1  0  0  0  0
 68180  1  0  0  0  0
 68417  1  0  0  0  0
 69171  1  0  0  0  0
 69183  1  0  0  0  0
 69419  1  0  0  0  0
 70191  1  0  0  0  0
 70207  1  0  0  0  0
 70446  1  0  0  0  0
 71192  1  0  0  0  0
 71209  1  0  0  0  0
 71447  1  0  0  0  0
 72195  1  0  0  0  0
 72205  1  0  0  0  0
 72448  1  0  0  0  0
 73194  1  0  0  0  0
 73218  1  0  0  0  0
 73462  1  0  0  0  0
 74193  1  0  0  0  0
 74219  1  0  0  0  0
 74463  1  0  0  0  0
 75206  1  0  0  0  0
 75212  1  0  0  0  0
 75468  1  0  0  0  0
 76216  1  0  0  0  0
 76222  1  0  0  0  0
 76223  1  0  0  0  0
 77199  1  0  0  0  0
 77474  1  0  0  0  0
 77475  1  0  0  0  0
 78222  1  0  0  0  0
 78227  1  0  0  0  0
 78235  1  0  0  0  0
 79223  1  0  0  0  0
 79227  1  0  0  0  0
 79240  1  0  0  0  0
 80221  1  0  0  0  0
 80233  1  0  0  0  0
 80495  1  0  0  0  0
 81213  1  0  0  0  0
 81241  2  0  0  0  0
 82220  1  0  0  0  0
 82246  1  0  0  0  0
 82504  1  0  0  0  0
 83231  1  0  0  0  0
 83241  1  0  0  0  0
 83505  1  0  0  0  0
 84226  1  0  0  0  0
 84250  1  0  0  0  0
 84508  1  0  0  0  0
 85225  1  0  0  0  0
 85254  1  0  0  0  0
 85510  1  0  0  0  0
 86245  1  0  0  0  0
 86251  1  0  0  0  0
 86523  1  0  0  0  0
 87256  1  0  0  0  0
 87259  1  0  0  0  0
 87535  1  0  0  0  0
 88249  1  0  0  0  0
 88270  1  0  0  0  0
 88541  1  0  0  0  0
 89261  1  0  0  0  0
 89264  1  0  0  0  0
 89548  1  0  0  0  0
 90252  1  0  0  0  0
 90275  2  0  0  0  0
 91254  1  0  0  0  0
 91552  1  0  0  0  0
 91553  1  0  0  0  0
 92276  1  0  0  0  0
 92278  1  0  0  0  0
 92279  1  0  0  0  0
 93273  1  0  0  0  0
 93562  1  0  0  0  0
 93563  1  0  0  0  0
 94274  1  0  0  0  0
 94280  2  0  0  0  0
 95275  1  0  0  0  0
 95564  1  0  0  0  0
 95565  1  0  0  0  0
 96275  1  0  0  0  0
 96566  1  0  0  0  0
 96567  1  0  0  0  0
 97277  1  0  0  0  0
 97281  1  0  0  0  0
 97568  1  0  0  0  0
 98282  1  0  0  0  0
 98285  1  0  0  0  0
 98286  1  0  0  0  0
 99280  1  0  0  0  0
 99578  1  0  0  0  0
 99579  1  0  0  0  0
100280  1  0  0  0  0
100580  1  0  0  0  0
100581  1  0  0  0  0
101284  1  0  0  0  0
101288  1  0  0  0  0
101289  1  0  0  0  0
102287  1  0  0  0  0
102290  1  0  0  0  0
102291  1  0  0  0  0
103292  1  0  0  0  0
103294  1  0  0  0  0
103295  1  0  0  0  0
104293  1  0  0  0  0
104296  1  0  0  0  0
104297  1  0  0  0  0
105298  1  0  0  0  0
105300  1  0  0  0  0
105301  1  0  0  0  0
106299  1  0  0  0  0
106302  1  0  0  0  0
106303  1  0  0  0  0
107304  1  0  0  0  0
107307  1  0  0  0  0
107308  1  0  0  0  0
108305  1  0  0  0  0
108306  1  0  0  0  0
108309  1  0  0  0  0
109110  1  1  0  0  0
109111  1  0  0  0  0
109310  1  0  0  0  0
110112  1  0  0  0  0
110311  1  0  0  0  0
110312  1  0  0  0  0
111114  1  0  0  0  0
111313  1  0  0  0  0
112113  1  0  0  0  0
112314  1  0  0  0  0
112315  1  0  0  0  0
113316  1  0  0  0  0
113317  1  0  0  0  0
114120  1  1  0  0  0
114121  1  0  0  0  0
114318  1  0  0  0  0
115116  1  0  0  0  0
117116  1  1  0  0  0
116319  1  0  0  0  0
116320  1  0  0  0  0
117118  1  0  0  0  0
117321  1  0  0  0  0
118119  1  0  0  0  0
118322  1  0  0  0  0
119122  1  0  0  0  0
119123  1  1  0  0  0
119323  1  0  0  0  0
120324  1  0  0  0  0
120325  1  0  0  0  0
120326  1  0  0  0  0
122129  1  0  0  0  0
122327  1  0  0  0  0
122328  1  0  0  0  0
123329  1  0  0  0  0
123330  1  0  0  0  0
123331  1  0  0  0  0
124332  1  0  0  0  0
124333  1  0  0  0  0
124334  1  0  0  0  0
125128  1  0  0  0  0
126336  1  0  0  0  0
126337  1  0  0  0  0
126338  1  0  0  0  0
127132  1  0  0  0  0
127133  1  1  0  0  0
127339  1  0  0  0  0
128130  1  6  0  0  0
128340  1  0  0  0  0
129341  1  0  0  0  0
129342  1  0  0  0  0
129343  1  0  0  0  0
130134  1  0  0  0  0
130135  1  0  0  0  0
130344  1  0  0  0  0
131345  1  0  0  0  0
131346  1  0  0  0  0
131347  1  0  0  0  0
132136  1  0  0  0  0
132348  1  0  0  0  0
133349  1  0  0  0  0
133350  1  0  0  0  0
133351  1  0  0  0  0
134353  1  0  0  0  0
134354  1  0  0  0  0
134355  1  0  0  0  0
135356  1  0  0  0  0
135357  1  0  0  0  0
135358  1  0  0  0  0
136140  2  0  0  0  0
136141  1  0  0  0  0
137138  1  0  0  0  0
138139  1  1  0  0  0
138359  1  0  0  0  0
139142  1  0  0  0  0
139143  1  0  0  0  0
139361  1  0  0  0  0
140144  1  0  0  0  0
140362  1  0  0  0  0
141145  2  0  0  0  0
141363  1  0  0  0  0
142364  1  0  0  0  0
142365  1  0  0  0  0
142366  1  0  0  0  0
143367  1  0  0  0  0
143368  1  0  0  0  0
143369  1  0  0  0  0
144146  2  0  0  0  0
144370  1  0  0  0  0
145146  1  0  0  0  0
145371  1  0  0  0  0
146372  1  0  0  0  0
147373  1  0  0  0  0
147374  1  0  0  0  0
147375  1  0  0  0  0
149150  1  0  0  0  0
149376  1  0  0  0  0
149377  1  0  0  0  0
150153  2  0  0  0  0
150154  1  0  0  0  0
151152  1  1  0  0  0
151157  1  0  0  0  0
151378  1  0  0  0  0
152155  1  0  0  0  0
152379  1  0  0  0  0
152380  1  0  0  0  0
153158  1  0  0  0  0
153381  1  0  0  0  0
154159  2  0  0  0  0
154382  1  0  0  0  0
155156  1  0  0  0  0
155383  1  0  0  0  0
156384  1  0  0  0  0
156385  1  0  0  0  0
158162  2  0  0  0  0
158386  1  0  0  0  0
159162  1  0  0  0  0
159387  1  0  0  0  0
160166  1  0  0  0  0
161163  1  1  0  0  0
161170  1  0  0  0  0
161388  1  0  0  0  0
163164  1  0  0  0  0
163389  1  0  0  0  0
163390  1  0  0  0  0
164165  1  0  0  0  0
164391  1  0  0  0  0
164392  1  0  0  0  0
165393  1  0  0  0  0
165394  1  0  0  0  0
166173  1  0  0  0  0
166395  1  0  0  0  0
167168  1  1  0  0  0
167174  1  0  0  0  0
167396  1  0  0  0  0
168172  1  0  0  0  0
168399  1  0  0  0  0
168400  1  0  0  0  0
169171  1  0  0  0  0
171182  1  1  0  0  0
171401  1  0  0  0  0
172185  1  0  0  0  0
172186  1  0  0  0  0
172402  1  0  0  0  0
173403  1  0  0  0  0
173404  1  0  0  0  0
175181  1  1  0  0  0
175183  1  0  0  0  0
175406  1  0  0  0  0
176177  1  1  0  0  0
176191  1  0  0  0  0
176407  1  0  0  0  0
177178  1  0  0  0  0
177409  1  0  0  0  0
177410  1  0  0  0  0
178179  1  0  0  0  0
178411  1  0  0  0  0
178412  1  0  0  0  0
179413  1  0  0  0  0
179414  1  0  0  0  0
180184  1  1  0  0  0
180195  1  0  0  0  0
180416  1  0  0  0  0
181196  1  0  0  0  0
181197  1  0  0  0  0
181418  1  0  0  0  0
182199  1  0  0  0  0
182420  1  0  0  0  0
182421  1  0  0  0  0
184190  1  0  0  0  0
184422  1  0  0  0  0
184423  1  0  0  0  0
185424  1  0  0  0  0
185425  1  0  0  0  0
185426  1  0  0  0  0
186427  1  0  0  0  0
186428  1  0  0  0  0
186429  1  0  0  0  0
187193  1  0  0  0  0
188194  1  0  0  0  0
189192  1  0  0  0  0
190203  1  0  0  0  0
190204  1  0  0  0  0
190430  1  0  0  0  0
192200  1  1  0  0  0
192431  1  0  0  0  0
193201  1  6  0  0  0
193432  1  0  0  0  0
194202  1  6  0  0  0
194433  1  0  0  0  0
196434  1  0  0  0  0
196435  1  0  0  0  0
196436  1  0  0  0  0
197437  1  0  0  0  0
197438  1  0  0  0  0
197439  1  0  0  0  0
198208  1  0  0  0  0
198440  1  0  0  0  0
198441  1  0  0  0  0
200213  1  0  0  0  0
200442  1  0  0  0  0
200443  1  0  0  0  0
201211  1  0  0  0  0
201444  1  0  0  0  0
201445  1  0  0  0  0
202224  1  0  0  0  0
202449  1  0  0  0  0
202450  1  0  0  0  0
203451  1  0  0  0  0
203452  1  0  0  0  0
203453  1  0  0  0  0
204454  1  0  0  0  0
204455  1  0  0  0  0
204456  1  0  0  0  0
205212  1  0  0  0  0
205215  1  6  0  0  0
205457  1  0  0  0  0
206209  1  0  0  0  0
206210  1  1  0  0  0
206458  1  0  0  0  0
207217  1  1  0  0  0
207221  1  0  0  0  0
207459  1  0  0  0  0
208216  1  0  0  0  0
208460  1  0  0  0  0
208461  1  0  0  0  0
210214  1  0  0  0  0
210464  1  0  0  0  0
210465  1  0  0  0  0
211225  1  0  0  0  0
211466  1  0  0  0  0
211467  1  0  0  0  0
213231  2  0  0  0  0
214229  1  0  0  0  0
214230  1  0  0  0  0
214469  1  0  0  0  0
215470  1  0  0  0  0
215471  1  0  0  0  0
217238  1  0  0  0  0
217472  1  0  0  0  0
217473  1  0  0  0  0
218220  1  0  0  0  0
219226  1  0  0  0  0
220228  1  6  0  0  0
220476  1  0  0  0  0
222477  1  0  0  0  0
222478  1  0  0  0  0
223479  1  0  0  0  0
223480  1  0  0  0  0
225481  1  0  0  0  0
225482  1  0  0  0  0
226232  1  1  0  0  0
226483  1  0  0  0  0
227484  1  0  0  0  0
227485  1  0  0  0  0
228237  1  0  0  0  0
228486  1  0  0  0  0
228487  1  0  0  0  0
229488  1  0  0  0  0
229489  1  0  0  0  0
229490  1  0  0  0  0
230491  1  0  0  0  0
230492  1  0  0  0  0
230493  1  0  0  0  0
231494  1  0  0  0  0
232243  1  0  0  0  0
232244  1  0  0  0  0
232496  1  0  0  0  0
233239  1  1  0  0  0
233245  1  0  0  0  0
233497  1  0  0  0  0
234236  1  0  0  0  0
234498  1  0  0  0  0
234499  1  0  0  0  0
235236  1  0  0  0  0
236500  1  0  0  0  0
236501  1  0  0  0  0
237242  1  0  0  0  0
237502  1  0  0  0  0
237503  1  0  0  0  0
239248  1  0  0  0  0
239506  1  0  0  0  0
239507  1  0  0  0  0
240247  1  0  0  0  0
241509  1  0  0  0  0
242252  1  0  0  0  0
242511  1  0  0  0  0
242512  1  0  0  0  0
243513  1  0  0  0  0
243514  1  0  0  0  0
243515  1  0  0  0  0
244516  1  0  0  0  0
244517  1  0  0  0  0
244518  1  0  0  0  0
246249  1  0  0  0  0
247255  1  0  0  0  0
247520  1  0  0  0  0
247521  1  0  0  0  0
248253  1  0  0  0  0
248256  2  0  0  0  0
249260  1  1  0  0  0
249522  1  0  0  0  0
250258  1  0  0  0  0
251257  1  1  0  0  0
251261  1  0  0  0  0
251524  1  0  0  0  0
252525  1  0  0  0  0
252526  1  0  0  0  0
253259  1  0  0  0  0
253263  2  0  0  0  0
255527  1  0  0  0  0
255528  1  0  0  0  0
256530  1  0  0  0  0
257262  1  0  0  0  0
257531  1  0  0  0  0
257532  1  0  0  0  0
258265  1  0  0  0  0
258533  1  0  0  0  0
258534  1  0  0  0  0
259267  2  0  0  0  0
260536  1  0  0  0  0
260537  1  0  0  0  0
260538  1  0  0  0  0
262268  1  0  0  0  0
262539  1  0  0  0  0
262540  1  0  0  0  0
263269  1  0  0  0  0
263542  1  0  0  0  0
264266  1  0  0  0  0
264273  1  6  0  0  0
264543  1  0  0  0  0
265272  1  0  0  0  0
265546  1  0  0  0  0
265547  1  0  0  0  0
266544  1  0  0  0  0
266545  1  0  0  0  0
267271  1  0  0  0  0
267549  1  0  0  0  0
268274  1  0  0  0  0
268550  1  0  0  0  0
268551  1  0  0  0  0
269271  2  0  0  0  0
269554  1  0  0  0  0
270276  1  0  0  0  0
271555  1  0  0  0  0
272277  1  0  0  0  0
272556  1  0  0  0  0
272557  1  0  0  0  0
274558  1  0  0  0  0
274559  1  0  0  0  0
276560  1  0  0  0  0
276561  1  0  0  0  0
278569  1  0  0  0  0
278570  1  0  0  0  0
278571  1  0  0  0  0
279282  1  0  0  0  0
281283  1  0  0  0  0
281572  1  0  0  0  0
281573  1  0  0  0  0
282574  1  0  0  0  0
282575  1  0  0  0  0
283284  1  0  0  0  0
283576  1  0  0  0  0
283577  1  0  0  0  0
285582  1  0  0  0  0
285583  1  0  0  0  0
285584  1  0  0  0  0
286287  1  0  0  0  0
287585  1  0  0  0  0
287586  1  0  0  0  0
288292  1  0  0  0  0
288587  1  0  0  0  0
288588  1  0  0  0  0
289589  1  0  0  0  0
289590  1  0  0  0  0
289591  1  0  0  0  0
290592  1  0  0  0  0
290593  1  0  0  0  0
290594  1  0  0  0  0
291293  1  0  0  0  0
293595  1  0  0  0  0
293596  1  0  0  0  0
294298  1  0  0  0  0
294597  1  0  0  0  0
294598  1  0  0  0  0
295599  1  0  0  0  0
295600  1  0  0  0  0
295601  1  0  0  0  0
296602  1  0  0  0  0
296603  1  0  0  0  0
296604  1  0  0  0  0
297299  1  0  0  0  0
299605  1  0  0  0  0
299606  1  0  0  0  0
300305  1  0  0  0  0
300607  1  0  0  0  0
300608  1  0  0  0  0
301609  1  0  0  0  0
301610  1  0  0  0  0
301611  1  0  0  0  0
302304  1  0  0  0  0
303612  1  0  0  0  0
303613  1  0  0  0  0
303614  1  0  0  0  0
304615  1  0  0  0  0
304616  1  0  0  0  0
306307  1  0  0  0  0
306617  1  0  0  0  0
306618  1  0  0  0  0
308619  1  0  0  0  0
308620  1  0  0  0  0
308621  1  0  0  0  0
309622  1  0  0  0  0
309623  1  0  0  0  0
309624  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
166177190

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
10900

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
58

> <PUBCHEM_CACTVS_HBOND_DONOR>
35

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
95

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADcfB//gBgAAAAAAAAAAAAAAAAAWLFixY8YMEAAAAAAFgB/AAAHgQQCAAADTzl3ga/2PfJlgioAzX3fACCgC2xErAJ2aG4fJiKfv7g+bmdcAhu9wP4+Ce/2+OOiAAAAAACAAAQAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(3S)-4-[[(9R,13R,15S,18S,21S,24S,30S,33S,36R,39S,42S,48S,51S,54S,57S,60R)-24-(2-amino-2-oxo-ethyl)-60-carbamoyl-51-(carboxymethyl)-57-(4-guanidinobutyl)-13-hydroxy-42-(1H-imidazol-4-ylmethyl)-54-(1H-indol-3-ylmethyl)-18,33,39-triisobutyl-21-isopropyl-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaoxo-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecazahexacyclo[34.31.5.13,66.011,15.026,30.044,48]triheptacontan-9-yl]amino]-3-[[(2S)-6-guanidino-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[3-[[5-[[(1R)-1-[[(1R)-1-[[4-[[[(1R)-1-[[(1R)-1-[[(1R,2S)-4-[(2R)-2-[(1S,2S)-3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-1-methoxy-2-methyl-3-oxo-propyl]pyrrolidin-1-yl]-2-methoxy-1-[(1R)-1-methylpropyl]-4-oxo-butyl]-methyl-carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]-methyl-carbamoyl]oxymethyl]phenyl]carbamoyl]-4-ureido-butyl]carbamoyl]-2-methyl-propyl]amino]-5-oxo-pentanoyl]amino]propanoyl-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-oxo-butanoic acid

> <PUBCHEM_IUPAC_CAS_NAME>
(3S)-4-[[(9R,13R,15S,18S,21S,24S,30S,33S,36R,39S,42S,48S,51S,54S,57S,60R)-24-(2-amino-2-oxoethyl)-60-carbamoyl-51-(carboxymethyl)-57-[4-(diaminomethylideneamino)butyl]-13-hydroxy-42-(1H-imidazol-4-ylmethyl)-54-(1H-indol-3-ylmethyl)-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaoxo-21-propan-2-yl-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecazahexacyclo[34.31.5.13,66.011,15.026,30.044,48]triheptacontan-9-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[3-[[5-[[(2R)-1-[[(2R)-5-(carbamoylamino)-1-[4-[[[[(2R)-1-[[(2R)-1-[[(3S,4R,5R)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]-1-pyrrolidinyl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylamino]-oxomethoxy]methyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-1,5-dioxopentyl]amino]-1-oxopropyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]-methylamino]-1-oxoethyl]amino]-1-oxopropyl]amino]-6-(diaminomethylideneamino)-1-oxohexyl]amino]-4-oxobutanoic acid

> <PUBCHEM_IUPAC_NAME_MARKUP>
(3<I>S</I>)-4-[[(9<I>R</I>,13<I>R</I>,15<I>S</I>,18<I>S</I>,21<I>S</I>,24<I>S</I>,30<I>S</I>,33<I>S</I>,36<I>R</I>,39<I>S</I>,42<I>S</I>,48<I>S</I>,51<I>S</I>,54<I>S</I>,57<I>S</I>,60<I>R</I>)-24-(2-amino-2-oxoethyl)-60-carbamoyl-51-(carboxymethyl)-57-[4-(diaminomethylideneamino)butyl]-13-hydroxy-42-(1<I>H</I>-imidazol-4-ylmethyl)-54-(1<I>H</I>-indol-3-ylmethyl)-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaoxo-21-propan-2-yl-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecazahexacyclo[34.31.5.1<SUP>3,66</SUP>.0<SUP>11,15</SUP>.0<SUP>26,30</SUP>.0<SUP>44,48</SUP>]triheptacontan-9-yl]amino]-3-[[(2<I>S</I>)-2-[[(2<I>S</I>)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[3-[[5-[[(2<I>R</I>)-1-[[(2<I>R</I>)-5-(carbamoylamino)-1-[4-[[[(2<I>R</I>)-1-[[(2<I>R</I>)-1-[[(3<I>S</I>,4<I>R</I>,5<I>R</I>)-1-[(2<I>R</I>)-2-[(1<I>S</I>,2<I>S</I>)-3-[[(1<I>R</I>,2<I>S</I>)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoyl]amino]propanoyl-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]propanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-oxobutanoic acid

> <PUBCHEM_IUPAC_NAME>
(3S)-4-[[(9R,13R,15S,18S,21S,24S,30S,33S,36R,39S,42S,48S,51S,54S,57S,60R)-24-(2-amino-2-oxoethyl)-60-carbamoyl-51-(carboxymethyl)-57-[4-(diaminomethylideneamino)butyl]-13-hydroxy-42-(1H-imidazol-4-ylmethyl)-54-(1H-indol-3-ylmethyl)-18,33,39-tris(2-methylpropyl)-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaoxo-21-propan-2-yl-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecazahexacyclo[34.31.5.13,66.011,15.026,30.044,48]triheptacontan-9-yl]amino]-3-[[(2S)-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[3-[[5-[[(2R)-1-[[(2R)-5-(carbamoylamino)-1-[4-[[[(2R)-1-[[(2R)-1-[[(3S,4R,5R)-1-[(2R)-2-[(1S,2S)-3-[[(1R,2S)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidin-1-yl]-3-methoxy-5-methyl-1-oxoheptan-4-yl]-methylamino]-3-methyl-1-oxobutan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]-methylcarbamoyl]oxymethyl]anilino]-1-oxopentan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoyl]amino]propanoyl-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]-methylamino]acetyl]amino]propanoyl]amino]-6-(diaminomethylideneamino)hexanoyl]amino]-4-oxobutanoic acid

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(3S)-3-[[(2S)-2-[[(2S)-2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[3-[[5-[[(2R)-1-[[(2R)-5-(aminocarbonylamino)-1-[[4-[[[(2R)-1-[[(2R)-1-[[(3S,4R,5R)-3-methoxy-1-[(2R)-2-[(1S,2S)-1-methoxy-2-methyl-3-oxidanylidene-3-[[(1R,2S)-1-oxidanyl-1-phenyl-propan-2-yl]amino]propyl]pyrrolidin-1-yl]-5-methyl-1-oxidanylidene-heptan-4-yl]-methyl-amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]-methyl-carbamoyl]oxymethyl]phenyl]amino]-1-oxidanylidene-pentan-2-yl]amino]-3-methyl-1-oxidanylidene-butan-2-yl]amino]-5-oxidanylidene-pentanoyl]amino]propanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoyl-methyl-amino]ethanoylamino]propanoyl]amino]-6-[bis(azanyl)methylideneamino]hexanoyl]amino]-4-[[(9R,13R,15S,18S,21S,24S,30S,33S,36R,39S,42S,48S,51S,54S,57S,60R)-60-aminocarbonyl-24-(2-azanyl-2-oxidanylidene-ethyl)-57-[4-[bis(azanyl)methylideneamino]butyl]-51-(2-hydroxy-2-oxoethyl)-42-(1H-imidazol-4-ylmethyl)-54-(1H-indol-3-ylmethyl)-18,33,39-tris(2-methylpropyl)-13-oxidanyl-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecakis(oxidanylidene)-21-propan-2-yl-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecazahexacyclo[34.31.5.13,66.011,15.026,30.044,48]triheptacontan-9-yl]amino]-4-oxidanylidene-butanoic acid

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(3S)-4-[[(9R,13R,15S,18S,21S,24S,30S,33S,36R,39S,42S,48S,51S,54S,57S,60R)-24-(2-amino-2-keto-ethyl)-60-carbamoyl-51-(carboxymethyl)-57-(4-guanidinobutyl)-13-hydroxy-42-(1H-imidazol-4-ylmethyl)-54-(1H-indol-3-ylmethyl)-18,33,39-triisobutyl-21-isopropyl-4,10,16,19,22,25,31,34,37,40,43,49,52,55,58,65,68-heptadecaketo-7,62,71-trithia-1,3,11,17,20,23,26,32,35,38,41,44,50,53,56,59,66-heptadecazahexacyclo[34.31.5.13,66.011,15.026,30.044,48]triheptacontan-9-yl]amino]-3-[[(2S)-6-guanidino-2-[[(2S)-2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-[3-[[5-[[(1R)-1-[[(1R)-1-[[4-[[[(1R)-1-[[(1R)-1-[[(1R,2S)-4-[(2R)-2-[(1S,2S)-3-[[(1S,2R)-2-hydroxy-1-methyl-2-phenyl-ethyl]amino]-3-keto-1-methoxy-2-methyl-propyl]pyrrolidino]-4-keto-2-methoxy-1-[(1R)-1-methylpropyl]butyl]-methyl-carbamoyl]-2-methyl-propyl]carbamoyl]-2-methyl-propyl]-methyl-carbamoyl]oxymethyl]phenyl]carbamoyl]-4-ureido-butyl]carbamoyl]-2-methyl-propyl]amino]-5-keto-pentanoyl]amino]propanoyl-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]-methyl-amino]acetyl]amino]propanoyl]amino]hexanoyl]amino]-4-keto-butyric acid

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C201H315N53O52S3/c1-34-117(16)172(147(304-32)88-156(264)251-73-46-56-143(251)174(305-33)118(17)176(280)217-119(18)173(278)122-49-36-35-37-50-122)246(30)197(301)170(115(12)13)235-193(297)171(116(14)15)247(31)201(303)306-102-121-61-63-124(64-62-121)218-178(282)131(55-45-71-213-200(208)302)221-191(295)168(113(8)9)233-150(258)60-44-59-149(257)210-72-65-152(260)237(21)93-158(266)239(23)95-160(268)241(25)97-162(270)243(27)99-164(272)245(29)101-165(273)244(28)100-163(271)242(26)98-161(269)240(24)96-159(267)238(22)94-157(265)236(20)92-151(259)216-120(19)177(281)219-129(53-40-42-69-211-198(204)205)179(283)224-136(86-166(274)275)185(289)232-142-105-309-78-68-155(263)250-108-248-107-249(109-250)154(262)67-77-308-104-141(231-182(286)133(80-111(4)5)225-188(292)144-57-48-75-253(144)195(299)139(85-148(202)256)229-192(296)169(114(10)11)234-186(290)134(81-112(6)7)226-190(294)146-84-126(255)91-254(146)196(142)300)187(291)222-132(79-110(2)3)181(285)228-138(83-125-90-209-106-215-125)194(298)252-74-47-58-145(252)189(293)227-137(87-167(276)277)184(288)223-135(82-123-89-214-128-52-39-38-51-127(123)128)183(287)220-130(54-41-43-70-212-199(206)207)180(284)230-140(175(203)279)103-307-76-66-153(248)261/h35-39,49-52,61-64,89-90,106,110-120,126,129-147,168-174,214,255,278H,34,40-48,53-60,65-88,91-105,107-109H2,1-33H3,(H2,202,256)(H2,203,279)(H,209,215)(H,210,257)(H,216,259)(H,217,280)(H,218,282)(H,219,281)(H,220,287)(H,221,295)(H,222,291)(H,223,288)(H,224,283)(H,225,292)(H,226,294)(H,227,293)(H,228,285)(H,229,296)(H,230,284)(H,231,286)(H,232,289)(H,233,258)(H,234,290)(H,235,297)(H,274,275)(H,276,277)(H4,204,205,211)(H4,206,207,212)(H3,208,213,302)/t117-,118+,119+,120+,126-,129+,130+,131-,132+,133+,134+,135+,136+,137+,138+,139+,140+,141+,142+,143-,144+,145+,146+,147+,168-,169+,170-,171-,172-,173+,174+/m1/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YZUGAHYDHBVJAU-KCKBOPTCSA-N

> <PUBCHEM_XLOGP3_AA>
-6.1

> <PUBCHEM_EXACT_MASS>
4401.2862907

> <PUBCHEM_MOLECULAR_FORMULA>
C201H315N53O52S3

> <PUBCHEM_MOLECULAR_WEIGHT>
4402

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(C)C(C(CC(=O)N1CCCC1C(C(C)C(=O)NC(C)C(C2=CC=CC=C2)O)OC)OC)N(C)C(=O)C(C(C)C)NC(=O)C(C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)C(CCCNC(=O)N)NC(=O)C(C(C)C)NC(=O)CCCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)NC(C)C(=O)NC(CCCCN=C(N)N)C(=O)NC(CC(=O)O)C(=O)NC4CSCCC(=O)N5CN6CN(C5)C(=O)CCSCC(NC(=O)C(NC(=O)C(NC(=O)C(NC(=O)C7CCCN7C(=O)C(NC(=O)C(NC(=O)C(CSCCC6=O)NC(=O)C(NC(=O)C8CCCN8C(=O)C(NC(=O)C(NC(=O)C(NC(=O)C9CC(CN9C4=O)O)CC(C)C)C(C)C)CC(=O)N)CC(C)C)CC(C)C)CC1=CNC=N1)CC(=O)O)CC1=CNC2=CC=CC=C21)CCCCN=C(N)N)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC[C@@H](C)[C@H]([C@H](CC(=O)N1CCC[C@@H]1[C@H]([C@H](C)C(=O)N[C@@H](C)[C@@H](C2=CC=CC=C2)O)OC)OC)N(C)C(=O)[C@@H](C(C)C)NC(=O)[C@@H](C(C)C)N(C)C(=O)OCC3=CC=C(C=C3)NC(=O)[C@@H](CCCNC(=O)N)NC(=O)[C@@H](C(C)C)NC(=O)CCCC(=O)NCCC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N(C)CC(=O)N[C@@H](C)C(=O)N[C@@H](CCCCN=C(N)N)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@H]4CSCCC(=O)N5CN6CN(C5)C(=O)CCSC[C@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]7CCCN7C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@H](CSCCC6=O)NC(=O)[C@@H](NC(=O)[C@@H]8CCCN8C(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H](NC(=O)[C@@H]9C[C@H](CN9C4=O)O)CC(C)C)C(C)C)CC(=O)N)CC(C)C)CC(C)C)CC1=CNC=N1)CC(=O)O)CC1=CNC2=CC=CC=C21)CCCCN=C(N)N)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
1530

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
4399.2795810

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
309

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
31

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
109  110  5
114  120  5
117  116  5
119  123  5
127  133  5
128  130  6
155  13  6
136  140  8
136  141  8
138  139  5
140  144  8
141  145  8
144  146  8
145  146  8
150  153  8
150  154  8
151  152  5
153  158  8
154  159  8
158  162  8
159  162  8
161  163  5
167  168  5
171  182  5
175  181  5
176  177  5
180  184  5
192  200  5
193  201  6
194  202  6
205  215  6
206  210  5
207  217  5
213  231  8
220  228  6
226  232  5
233  239  5
248  253  8
248  256  8
249  260  5
251  257  5
253  259  8
253  263  8
259  267  8
263  269  8
264  273  6
267  271  8
269  271  8
111  4  5
118  57  5
166  65  6
81  213  8
81  241  8
83  231  8
83  241  8
87  256  8
87  259  8
132  9  5

$$$$
