D0F3CA
 Wcorina  10100417213D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 18  0     0  0  0  0  0  0999 V2000
    3.7828    2.3210    0.5068 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    1.2521    3.5840   -0.6939 Cl  0  0  0  0  0  0  0  0  0  0  0  0
   -0.0163    1.3492    0.0095 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7996   -0.6495   -0.6473 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2079    0.0977    1.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0384   -0.6566    0.8165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2234   -0.4569    1.8583 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2828    1.4472    0.5165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9115   -1.9460    1.3192 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
    3.0762   -1.7368    2.3496 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9316   -2.4760    2.0816 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    1.9957    0.0016 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1179    0.1096    2.0714 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0238   -2.5264    1.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8622   -2.1707    2.9499 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8388   -3.4775    2.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  6  9  2  0  0  0  0
  6 10  1  0  0  0  0
  7 11  1  0  0  0  0
  7 14  1  0  0  0  0
  8 13  2  0  0  0  0
  9 12  1  0  0  0  0
  9 15  1  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 12 17  1  0  0  0  0
M  END

$$$$