D05WTS
 Wcorina  11010620303D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 19 20  0     0  0            999 V2000
   -0.0171    1.4064    0.0098 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
    1.2730    2.1297    0.0013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2279    2.0806    0.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3056   -0.6924   -0.0141 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2003   -0.7130    0.0101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4243    1.4298   -0.0134 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2945    3.3449    0.0073 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4152    1.3652    0.0438 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4400    0.0343   -0.0211 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3566   -1.9072   -0.0207 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4064   -0.0145    0.0259 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1949   -2.1014    0.0022 N   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2463    3.1604    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2670    1.9100   -0.0192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3571    1.8934    0.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2936   -0.4264   -0.0314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3403   -0.5569    0.0319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0331   -2.5897    0.0079 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  4  1  0  0  0  0
  2  5  1  0  0  0  0
  2  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  8  2  0  0  0  0
  4  9  2  0  0  0  0
  4 14  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  2  0  0  0  0
  6 12  2  0  0  0  0
  6 13  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  9 12  1  0  0  0  0
  9 16  1  0  0  0  0
 10 17  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  1  13  -1
M  END

$$$$