D03CAJ
 Wcorina  10100417203D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 28 28  0     1  0  0  0  0  0999 V2000
   -3.9713    0.0853   -2.5425 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4452   -1.7801   -1.7093 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0179    1.4669    0.0101 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0361    3.5012    0.0086 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1497   -0.6363   -2.0060 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0021   -0.0041    0.0020 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4527   -0.4983    1.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9687   -0.5711    1.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6395    0.7898    1.3661 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4011   -0.5343   -0.2991 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4070    1.4168   -0.0107 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0737    2.1318    0.0033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8061   -0.1286   -1.7177 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6988   -0.3558   -0.7588 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0877    0.1871    2.1427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0364   -1.4896    1.5570 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2501   -1.0403    2.3960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3304   -1.1927    0.6342 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2262    1.4442    2.1335 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7106    0.6739    1.5321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4041   -1.6213   -0.2173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1093   -0.1143    0.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2024    2.1300   -0.2270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3956    0.6359   -0.7711 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0979   -0.5486   -2.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8031    0.9584   -1.7995 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1831    3.9630    0.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8625    4.0091    0.0034 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  6  1  0  0  0  0
  3 12  2  0  0  0  0
  4 12  1  0  0  0  0
  4 27  1  0  0  0  0
  4 28  1  0  0  0  0
  5 13  1  0  0  0  0
  6  7  1  0  0  0  0
  6 10  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 13  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 12  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
M  CHG  2   1  -1   5   1
M  END

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