D0IE1E
 Wcorina  11010620243D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 20 20  0  0  0  0            999 V2000
    0.0021   -0.0041    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0144    1.2105    0.0087 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1435    1.9002    0.0013 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1906    1.8685    0.0179 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2081    3.1583    0.0249 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3767    3.8120    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3954    5.1920    0.0416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5925    6.0564    0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1277    7.3378    0.0573 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3201    6.0138    0.0469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7315    7.2847    0.0507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8348    8.4693    0.0529 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.3469    9.6827    0.0617 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4720    8.3061    0.0461 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.9900    1.4267   -0.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1303    2.8701    0.0067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0240    1.3721    0.0191 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3046    3.2593    0.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6247    5.7385    0.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7307    8.2337    0.0646 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  3 15  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  1  0  0  0  0
  9 11  2  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  2  12   1  14  -1
M  END

$$$$