LDA
  Mrv0541 02231217282D          

 16 15  0  0  0  0            999 V2000
   -3.4757    0.1838    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1902    0.5963    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.8882   -0.5307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0631    0.8984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7611   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0467    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3321   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6175    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0970   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8115    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5260   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2406    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9550   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6696    0.1838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3841   -0.2287    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0987    0.1838    0.0000 C   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  4  1  0  0  0  0
  1  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
M  CHG  2   1   1   2  -1
M  END