PUBCHEM-ZINC06068632
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 27 27  0  0  1  0  0  0  0  0999 V2000
   -0.0140    1.0750    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7420    1.5800   -1.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1210    1.6900   -1.1910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7830    2.1600   -2.3280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1360    2.2830   -2.3450 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0220    2.4980   -3.4410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6490    2.3590   -3.3840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0570    1.9170   -2.2910 N   0  3  0  0  0  0  0  0  0  0  0  0
    1.4030    1.7910   -2.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8000    0.3940   -2.7550 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.3590    0.2080   -3.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3010    0.3050   -2.8550 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340   -0.2260   -1.9740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8220    1.3460   -0.0770 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1650    0.0040   -0.0970 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9400    1.5950    0.0990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190    1.2600    0.8920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4980    2.8640   -4.3380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    2.6200   -4.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8400    2.5410   -2.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7680    1.9440   -1.2590 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5050   -1.5440   -2.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4560    3.1460   -2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9340    0.8160   -3.9220 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3120   -0.6100   -1.8000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7060   -0.4590   -0.8840 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8980    0.7350   -3.9410 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2  8  2  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5 23  1  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10 25  1  0  0  0  0
 12 13  2  0  0  0  0
 12 24  1  0  0  0  0
 22 25  1  0  0  0  0
 24 27  1  0  0  0  0
 25 26  1  0  0  0  0
M  CHG  1   8   1
M  CHG  1  14  -1
M  END