D09XQU
 Wcorina  11010620323D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 19 20  0     0  0            999 V2000
   -0.0154    1.2828    0.0091 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.3305   -0.0903   -0.0207 N   0  3  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
    1.1322   -0.7037   -0.0125 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1365    1.9831    0.0019 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3615    1.2838   -0.0136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0810    1.8725    0.0173 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5301   -0.8425   -0.0357 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0766   -2.0696   -0.0198 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1424    3.3833    0.0098 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5599    1.9894   -0.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3302    4.0551    0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5376    3.3665   -0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2176   -2.5201   -0.0143 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8963   -2.5883   -0.0304 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2108    3.9294    0.0212 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5018    1.4611   -0.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3322    5.1351    0.0086 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4670    3.9166   -0.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  3  2  0  0  0  0
  1  5  1  0  0  0  0
  1  7  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  2  4  2  0  0  0  0
  3  4  1  0  0  0  0
  4  9  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 15  1  0  0  0  0
 10 12  2  0  0  0  0
 10 16  1  0  0  0  0
 11 13  2  0  0  0  0
 11 17  1  0  0  0  0
 12 13  1  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  CHG  4   1   1   2   1   7  -1   8  -1
M  END

$$$$