D0CU4Q
 Wcorina  10100417223D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 17 16  0     1  0  0  0  0  0999 V2000
   -0.0225    1.8097    0.0120 S   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2129   -2.7027   -1.1457 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5765   -2.6526    1.0334 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1209   -0.0599    1.2215 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4333   -0.5336    0.0129 C   0  0  3  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
   -1.4129   -2.0405    0.0046 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7392    2.2418   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9605   -0.1726   -0.8702 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5123   -0.3556   -0.8948 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5293   -0.3651    0.8851 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0895   -0.3425    1.2207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510   -0.3817    2.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2229    1.8245    0.8807 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2059    1.8341   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474    3.3264    0.0023 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081   -3.6686   -1.1011 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1  8  1  0  0  0  0
  2  7  1  0  0  0  0
  2 17  1  0  0  0  0
  3  7  2  0  0  0  0
  4  5  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  6 10  1  0  0  0  0
  6 11  1  0  0  0  0
  8 14  1  0  0  0  0
  8 15  1  0  0  0  0
  8 16  1  0  0  0  0
M  END

$$$$