ACROSORGANICS-ZINC01655433
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
   -0.3890    1.5600    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    0.0730    0.0480 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7390   -0.3560    1.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2220    0.0070    1.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6770   -0.0850    0.0010 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3490   -0.8170    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2980   -0.5250    0.7720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5190    2.1700   -0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0200    1.8260   -0.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9350    1.8500    0.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3060    0.0870    2.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6930   -1.4450    1.4220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7900    0.3360    2.2630 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.2200   -1.7330   -0.8760 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7510   -0.2290   -1.1980 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.4220   -1.1810   -1.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7940   -0.2350   -0.9110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6050    0.4110   -1.9760 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  3 12  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  1  0  0  0  0
  6  7  2  0  0  0  0
  6 14  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15 18  1  0  0  0  0
M  CHG  1  13  -1
M  CHG  1  14  -1
M  CHG  1  15   1
M  END