PUBCHEM-ZINC02582702
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0100    1.3370    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0140   -0.0660    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2620   -0.6970   -0.0090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4640    0.0180   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4080    1.4330   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1660    2.1050    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920    3.6230    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1910    4.2670   -0.0090 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.5250   -0.9410   -0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9420   -2.1870   -0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5850   -2.0360   -0.0170 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380   -2.8140   -0.0100 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5870   -3.4840   -0.0500 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8560   -3.5260   -0.0680 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9750    1.8430    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9090   -0.6350    0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3310    2.0100   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5880   -0.7410   -0.0560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0660    4.1540    0.0230 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8100   -4.4940   -0.0420 O   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 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 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  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
  7  8  1  0  0  0  0
  7 19  2  0  0  0  0
  9 10  2  0  0  0  0
  9 18  1  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
M  CHG  1   8  -1
M  CHG  1  14  -1
M  END