D0GQ9A
 Wcorina  10100417253D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 15 15  0     0  0  0  0  0  0999 V2000
   -0.0217    1.7503    0.0117 As  0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6243    2.3575   -0.0008 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8703    2.3315   -1.4097 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9532    2.3920    1.6489 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2343    2.6258    2.8063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3181    2.6094    1.6273 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8814    3.0716    3.9436 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9652    3.0552    2.7646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2472    3.2840    3.9235 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8327    2.4599    2.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8790    2.4313    0.7216 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3199    3.2536    4.8481 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0315    3.2254    2.7475 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7527    3.6319    4.8121 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  4  2  0  0  0  0
  1  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  2  0  0  0  0
  7 12  1  0  0  0  0
  8 10  2  0  0  0  0
  8 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 14  1  0  0  0  0
 10 15  1  0  0  0  0
M  CHG  2   2  -1   3  -1
M  END

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