LGR8D4
  -OEChem-05022322152D

 27 27  0     0  0  0  0  0  0999 V2000
    3.4030   -1.7094    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.9030   -2.5754    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9030   -0.8434    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6318    2.2385    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.1670    0.5912    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    1.2906    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6350    2.8294    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    1.5694    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.2094    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.2906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.2094    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9440    1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3260    1.8784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6350    2.8294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8951    1.5694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3471   -0.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7456    0.3982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0569    0.3732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6584   -0.3171    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059   -1.5194    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2706    3.3310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7035    0.9797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4847    1.3778    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0867    2.1590    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -2.8294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  2  0  0  0  0
  1  7  1  0  0  0  0
  1 10  1  0  0  0  0
  4  9  1  0  0  0  0
  5  9  2  0  0  0  0
  6 11  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 12  1  0  0  0  0
  7 21  1  0  0  0  0
  8 13  2  0  0  0  0
  8 15  1  0  0  0  0
  9 14  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 11 18  1  0  0  0  0
 12 19  1  0  0  0  0
 12 20  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 15 22  1  0  0  0  0
 16 23  1  0  0  0  0
 16 24  1  0  0  0  0
 16 25  1  0  0  0  0
M  CHG  2   4  -1   9   1
M  END

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