ACROSORGANICS-ZINC03860431
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0080    1.3530    0.2230 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0480   -0.0260    0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2530   -0.6790    0.0410 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3970    0.0590   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3340    1.4380   -0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1330    2.0840   -0.0520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0690    3.5620   -0.1020 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0120    4.1330    0.0990 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0730    4.2080   -0.3440 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.6830   -0.6320   -0.4800 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.7220   -0.1510   -0.0650 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7020   -1.6830   -1.0960 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.3130   -2.0730    0.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1690   -2.8010    0.2500 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9450    1.8610    0.3970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8430   -0.5960    0.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2230    2.0110   -0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1680   -2.5250    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5060   -2.5800   -0.4670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3680   -3.7900    0.2660 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 14 19  1  0  0  0  0
 14 20  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END