PUBCHEM-ZINC03651606
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 25 24  0  0  1  0  0  0  0  0999 V2000
    0.0210    1.5580   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0410    0.0260   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4650   -0.5020   -0.0180 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.1400   -0.0370   -0.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6320   -2.0440   -0.1260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2940   -2.4450    0.9000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4560    2.0950   -0.1710 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4920    3.6150   -0.0380 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.8890    4.0910   -0.8190 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9210    4.2190   -0.0940 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1450    4.9810    0.9050 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9300    4.0030    1.2390 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5750    1.9860   -0.9000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320    1.8970    0.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -0.3020   -1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990   -0.4130    0.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0510    1.6460    0.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9110    1.7870   -1.1190 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6400    4.6090    1.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1600   -2.6410   -1.1170 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0130   -0.1280    1.3490 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.7730    0.5550    1.3300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2980    0.1000    2.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4120   -1.0800    1.6260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6430    3.9170   -1.0780 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  7  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  2  3  1  0  0  0  0
  2 15  1  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 21  1  0  0  0  0
  5  6  2  0  0  0  0
  5 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
 10 11  2  0  0  0  0
 10 25  1  0  0  0  0
 12 19  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 24  1  0  0  0  0
M  CHG  1  20  -1
M  CHG  1  21   1
M  CHG  1  25  -1
M  END