PUBCHEM-ZINC01529649
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
   -0.4430    1.3370    0.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2160   -0.1750    0.2160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4890   -0.9980   -0.0510 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9310   -0.7240   -1.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9950   -2.4770   -0.1110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3120   -3.1710    0.9020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5070   -0.7990    0.9950 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4190    0.2330    1.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5030    1.0910    0.1490 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3000    0.2140    2.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2080    1.4340    2.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8970    1.4630    3.7090 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3430    2.2030    4.5710 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8740    2.0910    0.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810    1.5990   -0.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0600    1.6510    1.0140 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -0.4340   -0.5250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2010   -0.4390    1.1980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5050   -1.5290    1.7080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8980   -0.7050    2.2490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6470    0.1650    3.1470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6330    2.3580    2.2110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9610    1.4090    1.5510 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390    1.8900    1.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4970    1.8770   -0.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3350   -2.7950   -1.1430 O   0  5  0  0  0  0  0  0  0  0  0  0
   -6.9450    0.7640    3.8020 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5920    3.5480    0.1880 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4540    4.1020    0.1130 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1000    3.8380    1.0440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0190    3.7940   -0.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2 17  1  0  0  0  0
  2 18  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  5  6  2  0  0  0  0
  5 26  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 12  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 14 24  1  0  0  0  0
 14 25  1  0  0  0  0
 14 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  CHG  1  26  -1
M  CHG  1  27  -1
M  CHG  1  28   1
M  END