ACROSORGANICS-ZINC01680422
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.0830    1.4520    0.3480 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0320    0.0720    0.4070 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1390   -0.6770    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2970   -0.0450   -0.3600 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3480    1.3350   -0.4200 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2410    2.0840   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2950    3.5610   -0.1290 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.3190    4.2210    0.1830 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3160    4.1180   -0.4920 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.4830   -0.8460   -0.7380 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.6000   -0.4530   -0.4520 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3420   -1.8980   -1.3350 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0740   -2.4360    0.1300 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.7540   -2.8830   -1.1800 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2400   -2.8500    0.8290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7840    2.0360    0.6200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8730   -0.4220    0.7300 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2520    1.8290   -0.7430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1100   -2.8050    1.0120 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2360   -3.7580    1.1220 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 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  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 18  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  2  0  0  0  0
 13 15  2  0  0  0  0
 13 19  1  0  0  0  0
 19 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