NCID-ZINC01617968
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
   -0.0640    1.4440    0.0820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    0.0600   -0.0850 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1200   -0.6550   -0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3510    0.0080    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    1.4010    0.1830 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1510    2.1140    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6490   -0.7800   -0.0340 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4380   -1.7930   -0.4010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2450   -0.8250    1.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1590    0.0170    1.6380 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5390   -0.1100   -0.9440 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7200   -0.8400   -1.2180 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.7760   -2.0080   -0.8260 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5250   -0.2060   -1.9020 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9970    1.9990    0.1140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0250   -0.4650   -0.1820 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0890   -1.7360   -0.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2920    1.9350    0.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    3.1910    0.3590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7580   -1.7170    2.1490 O   0  5  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 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  2  0  0  0  0
  9 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  CHG  1  20  -1
M  END