D0J3TS
 Wcorina  10100417233D 1   1.00000     0.00000 
CORINA evaluation license 3.40 0067  02.08.2006
 19 21  0     0  0  0  0  0  0999 V2000
   -0.0219    1.7662    0.0118 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471   -4.9838   -0.0288 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.3171   -0.3572   -0.0124 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7485   -1.0796    0.0040 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0467   -2.1687   -0.0090 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
    1.3365   -1.7472   -0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4076   -3.5764   -0.0117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2113    0.6891   -0.0154 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7434    1.9247   -0.0043 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6934   -3.9790   -0.0014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8689   -5.3487   -0.0065 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7411   -6.0633   -0.0208 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2152   -2.3751   -0.0325 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2752    0.5037   -0.0262 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3167    2.8399   -0.0048 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5212   -3.2855    0.0104 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8463   -5.8081    0.0009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6893   -7.1420   -0.0272 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  6  1  0  0  0  0
  1 10  1  0  0  0  0
  2  8  1  0  0  0  0
  2 13  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  5  7  2  0  0  0  0
  5  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8 11  2  0  0  0  0
  9 10  2  0  0  0  0
  9 15  1  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
 13 19  1  0  0  0  0
M  END

$$$$