D0VB2W
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 18  0     0  0  0  0  0  0999 V2000
    6.2289    1.3647   -0.0501 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.9723    3.4586   -0.0370 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0169    1.3945    0.0097 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4961    2.3375   -0.0382 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.1113    0.7293   -0.0142 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720    1.8600   -0.0001 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5004    0.8985   -0.0265 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0270    2.1574   -0.0251 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8383    3.1325    0.0009 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1971    3.2720   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2312   -0.4347   -0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1521    0.0373   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2046    4.0069    0.0113 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6317    4.2606   -0.0108 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5433   -1.4685   -0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8145    1.9465    0.0167 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  2  5  2  0  0  0  0
  3  4  1  0  0  0  0
  3  7  1  0  0  0  0
  3 17  1  0  0  0  0
  4 12  2  0  0  0  0
  5  9  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  6 12  1  0  0  0  0
  7 10  1  0  0  0  0
  8  9  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
 10 11  2  0  0  0  0
 10 14  1  0  0  0  0
 11 15  1  0  0  0  0
 12 16  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

$$$$