MAYBRIDGE-ZINC03898526
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.4880    1.4560    0.0790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2190   -0.0260    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1240   -0.6870    1.1600 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3720   -2.0800    1.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2610   -2.7150   -0.0910 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0820   -2.0310   -1.1980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3260   -0.7090   -1.1470 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780   -2.6170   -2.2590 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6830   -2.6970    2.0960 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2400    0.0340    2.4480 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1340    1.2470    2.4780 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4410   -0.5860    3.4770 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.4540    1.9990   -0.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1380    1.7320   -0.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.7090    1.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5760   -0.2350   -1.9550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290   -3.6690   -0.1450 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  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
  6  8  2  0  0  0  0
  7 16  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1  10   1
M  CHG  1  12  -1
M  END