PUBCHEM-ZINC03652009
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
   -0.0350    1.3930    0.3240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0870   -0.0990    0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6600   -0.4990   -1.2540 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.6890   -0.1200   -1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820   -2.0560   -1.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2160   -2.5950   -1.9600 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060    0.0070   -2.4620 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2510    1.2170   -3.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0970    2.0230   -2.6580 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5700    1.4750   -4.2950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5010    2.9500   -4.6830 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8520    3.5750   -3.8510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2850    3.2880   -5.9490 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0530    4.7650   -6.2930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1090    5.1800   -5.9500 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9980    1.7530    0.3500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5890    1.9700   -0.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4890    1.5960    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3420   -0.6270    0.8870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1390   -0.4090   -0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6750   -0.6570   -2.8520 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1830    0.8370   -5.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6110    1.1880   -4.1050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9530    2.6790   -6.7970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3530    3.1020   -5.7930 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5880   -2.5840   -0.5390 O   0  5  0  0  0  0  0  0  0  0  0  0
   -2.0030    5.3570   -6.8580 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.9240    3.3410   -4.8920 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4180    2.8010   -5.6040 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4390    3.3200   -3.9960 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8600    4.3530   -5.2800 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  2 19  1  0  0  0  0
  2 20  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 21  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 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  1  0  0  0  0
 11 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 13 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 27  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