D04ABS
 Wcorina  11010620243D 1   1.00000     0.00000     0
CORINA evaluation license 3.40 0067  02.08.2006
 19 20  0     0  0            999 V2000
   -0.0178    1.4618    0.0101 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
    1.2025    2.1605    0.0022 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3679    1.4768   -0.0131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2263    2.1648    0.0196 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3934    0.1355   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2068   -0.6289   -0.0129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2107    3.5485    0.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970    3.5491    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4680   -0.4374   -0.0351 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0013    4.2353    0.0237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0483    1.1306    0.0226 I   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4153    4.2597    0.0361 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9169   -0.5713    0.0081 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2575   -1.7077   -0.0188 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1304    4.0922    0.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0043    5.3153    0.0288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2600    3.7828    0.0379 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4059    5.2296    0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  3  1  0  0  0  0
  1  5  2  0  0  0  0
  2  7  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3  9  2  0  0  0  0
  4  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 12  1  0  0  0  0
  6 10  2  0  0  0  0
  6  7  1  0  0  0  0
  7 15  1  0  0  0  0
  8 11  2  0  0  0  0
  8 13  1  0  0  0  0
  9 11  1  0  0  0  0
  9 16  1  0  0  0  0
 11 17  1  0  0  0  0
 13 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

$$$$