D0K1PR
 Wcorina  11010620323D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 20 21  0     0  0            999 V2000
   -0.0160    1.3305    0.0094 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6168    1.9732   -0.0028 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.2778   -0.5938   -0.0133 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3074    0.3545   -0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2398    2.1519    0.0198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4115    1.5771    0.0225 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6216   -1.9669   -0.0236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1467    3.5284    0.0268 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1099   -3.4173   -0.0176 I   0  0  0  0  0  0  0  0  0  0  0  0
    3.6413   -0.0653   -0.0324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9439   -1.4060   -0.0417 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9262   -2.3516   -0.0377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9038   -0.5920    0.0079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2169    2.1176    0.0293 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2759    3.9556    0.0249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9521    4.0689    0.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4360    0.6660   -0.0364 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9756   -1.7252   -0.0528 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1734   -3.4029   -0.0453 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  3  1  0  0  0  0
  1  6  1  0  0  0  0
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  3  5  1  0  0  0  0
  4  8  1  0  0  0  0
  4  5  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 15  1  0  0  0  0
  8 10  1  0  0  0  0
  8 13  2  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 11 12  2  0  0  0  0
 11 18  1  0  0  0  0
 12 13  1  0  0  0  0
 12 19  1  0  0  0  0
 13 20  1  0  0  0  0
M  END

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