NCID-ZINC01699228
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.3850    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
    1.1820   -0.6910   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    0.0110   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3690    1.4250   -0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1490    2.1000    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6520    2.1400   -0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6970    3.3560   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7810    1.3940   -0.0360 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6470    1.8320   -0.0420 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7110    0.0300   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5790   -0.6270   -0.0350 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.6030   -2.0430   -0.0420 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.8850   -0.6870   -0.0570 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9630    1.9060    0.0170 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9300   -0.5490    0.0080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1820   -1.7710   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1250    3.1800    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7370   -0.2220   -0.0630 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8610   -1.6560   -0.0620 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 14  1  0  0  0  0
 12 13  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  13  -1
M  END