PUBCHEM-ZINC01731603
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 30  0  0  0  0  0  0  0  0999 V2000
   -0.0180    1.5030    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
    1.0560   -0.5940   -0.0110 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1510   -0.6910    0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0560   -2.1400    0.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4610   -2.7440    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1520   -2.3940   -1.2330 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.4810   -3.3220   -2.0740 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1750   -2.9700   -3.3230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5160   -1.7550   -3.7000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1270   -1.8180   -4.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1750   -3.1120   -5.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5710   -3.8470   -4.2930 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3850   -5.3000   -4.2830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7670   -3.6340   -6.5250 N   0  3  0  0  0  0  0  0  0  0  0  0
   -6.2750   -2.8680   -7.3240 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7460   -4.8300   -6.7570 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.4610   -1.0400   -1.5140 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0040    1.8800    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8640   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8540    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5270   -2.4640   -0.8960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5100   -2.4730    0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3900   -3.8280    0.0940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0200   -2.3500    0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2460   -4.3540   -1.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5170   -0.9780   -5.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2450   -5.7730   -3.8090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2900   -5.6610   -5.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4810   -5.5470   -3.7250 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 19  1  0  0  0  0
  1 20  1  0  0  0  0
  1 21  1  0  0  0  0
  2  3  2  0  0  0  0
  2  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7  8  2  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 13  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 13 14  1  0  0  0  0
 14 28  1  0  0  0  0
 14 29  1  0  0  0  0
 14 30  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1  15   1
M  CHG  1  17  -1
M  CHG  1  18  -1
M  END