D0Q2LL
 Wcorina  08120616523D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 21  0  0  0  0            999 V2000
   -0.0164    1.3553    0.0095 O   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
    0.0229   -0.7021    1.1931 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0413   -2.0958    1.1834 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0701   -3.2679    2.4985 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.0766   -4.5881    1.3373 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1035   -6.2984    1.7599 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.1013   -7.1538    0.3420 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3625   -6.5406    2.3727 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1367   -6.5739    2.3966 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0586   -4.1316    0.1414 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0388   -2.7948   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0174   -2.0552   -1.2300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0058   -0.6951   -1.2067 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8616    1.7606    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0252   -0.1684    2.1320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0869   -6.6852   -0.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1144   -8.1236    0.3606 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0155   -2.5740   -2.1773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0262   -0.1453   -2.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 12  2  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  7 10  2  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  END

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