ACROSORGANICS-ZINC04261830
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.0330    1.3250    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -0.0330    0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2460   -0.6620   -0.0020 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2850   -1.6310    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3900    0.0430   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4510   -0.5510   -0.0260 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3920    1.3870   -0.0210 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2350    1.8680   -0.0320 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2300    2.0730   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2290    3.2900   -0.0150 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2300   -0.8300    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7040   -1.2360   -1.0160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3330    2.0320    0.0110 N   0  3  0  0  0  0  0  0  0  0  0  0
   -2.3710    1.4010   -0.0810 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3660    3.2460    0.1070 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8380   -1.1040    1.1950 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6500   -1.6280    1.1550 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1  9  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  2  0  0  0  0
 11 16  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 16 17  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  END