IBS-ZINC01558279
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 15 15  0  0  0  0  0  0  0  0999 V2000
   -0.0160    1.3480    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2740   -0.4100   -0.0120 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0660    0.6420   -0.0140 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2830    1.7670   -0.0010 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7350    3.1090    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5340    0.6150   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1620   -0.5190   -0.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5770   -0.5450   -0.0550 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7030   -1.7600   -0.0240 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8940    1.9770    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8660   -0.6470    0.0070 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8700    3.4770    0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0920    1.5400   -0.0280 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9540   -1.4360   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  5  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2 12  1  0  0  0  0
  3  4  2  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  6 13  1  0  0  0  0
  7  8  2  0  0  0  0
  7 14  1  0  0  0  0
  8  9  1  0  0  0  0
  9 15  1  0  0  0  0
M  CHG  1   3   1
M  CHG  1  10  -1
M  END