IBS-ZINC01680682
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0180    1.5030    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0230   -0.6940    1.1990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -2.0800    1.1810 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0390   -2.7240   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0170   -1.9690   -1.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0060   -0.6500   -1.1490 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0330    0.0900   -2.3560 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0150   -2.6590   -2.5440 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0640   -2.8540    2.4420 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0670   -2.2730    3.5130 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0810   -4.0710    2.4100 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0040    1.8800    0.0030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5460    1.8640   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5290    1.8540    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0250   -0.1590    2.1380 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0530   -3.8030   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0140   -2.8390   -2.8570 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5130   -2.0270   -3.2790 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5420   -3.6090   -2.4640 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  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  1  0  0  0  0
  5  6  2  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6  9  1  0  0  0  0
  7  8  1  0  0  0  0
  9 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1   8  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  END