D04XCQ
 Wcorina  10100417203D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 77 80  0     1  0  0  0  0  0999 V2000
   -7.8611   -2.5968   -6.2977 F   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5198   -5.2679   -5.7972 F   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1009    2.7928   -0.0679 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4648    0.7586    0.5160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9929   -3.6885   -7.6588 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964   -4.1537   -9.9529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9829   -0.9418  -11.1760 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1666   -1.0388   -2.1599 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6501   -2.4790   -6.8087 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6384   -3.1428   -9.0467 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5583   -3.7124  -11.3267 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9113   -2.9488  -10.9529 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7249    0.9341   -0.1265 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7370   -0.5670    0.1751 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0992    1.1547   -1.5948 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7653   -1.2798   -0.7681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1169    0.3920   -2.4867 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7241    1.6337    0.7585 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3394   -1.8200   -3.0892 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3474    1.4884    0.1308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9382   -1.7410   -4.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8909    3.0028    0.6649 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4779    0.9056    1.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0767   -2.5547   -5.4627 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8073    3.6445    1.4768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3944    1.5474    2.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5574    2.9171    2.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9834   -2.5774   -9.2461 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.7515    3.2570    0.2001 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0552   -3.1239   -7.8318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5558   -2.6446  -10.6475 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7990   -3.2137  -11.6085 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9315   -3.2972   -8.3220 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0067   -3.6845  -10.1069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3278   -3.2946  -13.0174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8426   -2.1277  -10.9386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9724   -2.6087   -7.7280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7626   -4.6468   -8.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9140   -2.0406  -13.7902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8437   -3.2691   -6.8791 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6309   -5.3091   -7.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6709   -4.6213   -6.6258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1106    0.7888   -1.7714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0507    2.2186   -1.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4298   -0.7332    1.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7428   -0.9600    0.0263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7822   -2.3507   -0.5655 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7575   -0.8961   -0.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1075    0.7679   -2.3196 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3892    0.5354   -3.5323 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3272   -1.4159   -3.1022 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3113   -2.8600   -2.7641 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9505   -2.1451   -4.4818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9664   -0.7010   -4.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3049    3.5710   -0.0422 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3510   -0.1646    1.7297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0486   -3.5947   -5.1376 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0645   -2.1506   -5.4757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9371    4.7142    1.4041 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9836    0.9785    3.1758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2732    3.4186    3.0164 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4579   -1.9649   -6.9636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9559   -1.5303   -8.9444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5029    3.0677    1.2444 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0499    2.7251   -0.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6886    4.3265   -0.0002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0507   -4.1128  -12.0497 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9175   -4.1764  -13.5094 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4153   -3.3645  -12.9939 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1057   -1.5554   -7.9259 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9516   -5.1841   -8.5427 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243   -1.1587  -13.2982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8265   -1.9706  -13.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2965   -2.0991  -14.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4982   -6.3634   -7.0339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8012   -2.5844  -11.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7905   -3.9041  -10.8359 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 40  1  0  0  0  0
  2 42  1  0  0  0  0
  3 20  1  0  0  0  0
  3 29  1  0  0  0  0
  4 20  2  0  0  0  0
  5 30  2  0  0  0  0
  6 34  2  0  0  0  0
  7 36  2  0  0  0  0
  8 16  1  0  0  0  0
  8 17  1  0  0  0  0
  8 19  1  0  0  0  0
  9 24  1  0  0  0  0
  9 30  1  0  0  0  0
  9 62  1  0  0  0  0
 10 28  1  0  0  0  0
 10 30  1  0  0  0  0
 10 34  1  0  0  0  0
 11 32  1  0  0  0  0
 11 34  1  0  0  0  0
 11 67  1  0  0  0  0
 12 36  1  0  0  0  0
 12 76  1  0  0  0  0
 12 77  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 18  1  0  0  0  0
 13 20  1  0  0  0  0
 14 16  1  0  0  0  0
 14 45  1  0  0  0  0
 14 46  1  0  0  0  0
 15 17  1  0  0  0  0
 15 43  1  0  0  0  0
 15 44  1  0  0  0  0
 16 47  1  0  0  0  0
 16 48  1  0  0  0  0
 17 49  1  0  0  0  0
 17 50  1  0  0  0  0
 18 22  2  0  0  0  0
 18 23  1  0  0  0  0
 19 21  1  0  0  0  0
 19 51  1  0  0  0  0
 19 52  1  0  0  0  0
 21 24  1  0  0  0  0
 21 53  1  0  0  0  0
 21 54  1  0  0  0  0
 22 25  1  0  0  0  0
 22 55  1  0  0  0  0
 23 26  2  0  0  0  0
 23 56  1  0  0  0  0
 24 57  1  0  0  0  0
 24 58  1  0  0  0  0
 25 27  2  0  0  0  0
 25 59  1  0  0  0  0
 26 27  1  0  0  0  0
 26 60  1  0  0  0  0
 27 61  1  0  0  0  0
 28 31  1  0  0  0  0
 28 33  1  0  0  0  0
 28 63  1  0  0  0  0
 29 64  1  0  0  0  0
 29 65  1  0  0  0  0
 29 66  1  0  0  0  0
 31 32  2  0  0  0  0
 31 36  1  0  0  0  0
 32 35  1  0  0  0  0
 33 37  2  0  0  0  0
 33 38  1  0  0  0  0
 35 39  1  0  0  0  0
 35 68  1  0  0  0  0
 35 69  1  0  0  0  0
 37 40  1  0  0  0  0
 37 70  1  0  0  0  0
 38 41  2  0  0  0  0
 38 71  1  0  0  0  0
 39 72  1  0  0  0  0
 39 73  1  0  0  0  0
 39 74  1  0  0  0  0
 40 42  2  0  0  0  0
 41 42  1  0  0  0  0
 41 75  1  0  0  0  0
M  END

$$$$