PUBCHEM-ZINC05975563
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 27 27  0  0  0  0  0  0  0  0999 V2000
    0.1730    1.4930   -0.0140 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
    0.0760   -0.6840    1.1770 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0500   -1.9740    1.1790 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1250   -2.6620    2.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2260   -1.9920    3.5230 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0980   -4.0020    2.3670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2330   -0.6940   -1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1260   -1.7940   -1.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3450   -2.4570   -2.3900 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6970   -2.0590   -3.5540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1820   -0.9830   -3.5430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4160   -0.2960   -2.3880 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8630   -0.5750   -4.7920 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6360   -1.2320   -5.9110 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6960    0.4450   -4.7850 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.2260    1.7370   -0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4070    1.9160   -0.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1780    1.9090    0.9310 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2460   -1.0220    3.5220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2790   -2.4770    4.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -4.4860    1.5300 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1510   -4.4870    3.2060 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6310   -2.1060   -0.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0250   -3.2960   -2.4140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770   -2.5920   -4.4760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0960    0.5430   -2.3830 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  2  3  2  0  0  0  0
  2  8  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 20  1  0  0  0  0
  6 21  1  0  0  0  0
  7 22  1  0  0  0  0
  7 23  1  0  0  0  0
  8  9  1  0  0  0  0
  8 13  2  0  0  0  0
  9 10  2  0  0  0  0
  9 24  1  0  0  0  0
 10 11  1  0  0  0  0
 10 25  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END