PUBCHEM-ZINC05132002
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 18 17  0  0  1  0  0  0  0  0999 V2000
    0.0630    1.5060   -0.1300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0430   -0.0140    0.0690 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.7020   -0.5110   -0.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3670   -0.5990   -0.0200 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0030   -0.3090    0.8230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3480   -2.1440   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9730   -2.5490   -1.1560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0360   -0.1330   -1.2220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6140   -0.3140    1.4480 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0390    0.0610    2.4360 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7160   -0.8780    1.5000 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4800    2.0700   -0.1590 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2950    1.4490   -0.8940 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3900    1.7700   -1.0930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5250    2.0120    0.6470 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2930   -0.9960   -1.6540 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7610   -2.7770    0.7890 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.6540    3.1050    0.5420 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 12  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  4  1  0  0  0  0
  2  9  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  6  7  2  0  0  0  0
  6 17  1  0  0  0  0
  8 16  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 18  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  CHG  1  17  -1
M  CHG  1  18  -1
M  END