IKS
  CCTOOLS-0619261020

 35 36  0  0  1  0  0  0  0  0999 V2000
    4.0310    1.0850   -0.4160 P   0  0  0  0  0
    5.0700    0.2350   -1.0390 O   0  0  0  0  0
    3.6860    2.3160   -1.3940 O   0  0  0  0  0
    2.7030    0.2110   -0.1640 O   0  0  0  0  0
    2.7030   -1.0100    0.5790 C   0  0  0  0  0
    1.2840   -1.5790    0.6260 C   0  0  0  0  0
    0.7060   -1.7490   -0.7990 C   0  0  0  0  0
    0.9270   -3.0990   -1.2130 O   0  0  0  0  0
   -0.7710   -1.4420   -0.9480 C   0  0  0  0  0
   -1.4220   -2.6120   -1.4490 O   0  0  0  0  0
   -1.4970   -1.0020    0.3440 C   0  0  0  0  0
   -2.4950    0.0320    0.0610 N   0  0  0  0  0
   -3.8000   -0.2920    0.0100 C   0  0  0  0  0
   -4.1380   -1.4490    0.2010 O   0  0  0  0  0
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   -4.3880    1.8930   -0.4560 C   0  0  0  0  0
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   -2.0980    1.3200   -0.1450 C   0  0  0  0  0
    0.0130   -0.2650    1.4100 SE  0  0  0  0  0
    4.4420    2.8860   -1.5900 H   0  0  0  0  0
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    3.0510   -0.8180    1.5940 H   0  0  0  0  0
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    0.5950   -3.2980   -2.0990 H   0  0  0  0  0
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   -5.1040    3.7590   -0.8720 H   0  0  0  0  0
   -2.7360    3.2910   -0.5810 H   0  0  0  0  0
   -1.0510    1.5810   -0.1000 H   0  0  0  0  0
    4.5740    1.6520    0.9900 O   0  0  0  0  0
    3.9440    2.2190    1.4550 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1 34  1  0  0  0
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  4  1  1  0  0  0
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  5 23  1  0  0  0
  6  5  1  0  0  0
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  9  7  1  0  0  0
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 10  9  1  0  0  0
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 20  6  1  0  0  0
 34 35  1  0  0  0
M  END
$$$$
