PUBCHEM-ZINC05112958
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
    0.0350    1.3710   -0.6080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4320    0.2460    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6540   -0.4650   -0.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -0.0810   -1.2290 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9870   -1.5470    0.5330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4910   -1.7680    1.3990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0850   -2.4950    0.2920 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.9160   -1.9590   -0.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6300   -3.6850   -0.5690 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3110   -3.3070   -2.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9590   -4.4920   -2.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4690   -5.5080   -2.3550 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5460   -3.0920    1.6600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7010   -2.9160    2.5970 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2820    2.0300   -0.0470 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2390    0.9730   -1.6100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7630    2.1150   -0.7220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3700   -0.4920    0.4330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6810    0.6450    1.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7470   -4.1510   -0.1120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4120   -4.4570   -0.5760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1700   -2.7800   -2.4510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4540   -2.6260   -2.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0990    2.5020    0.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1150    1.3250    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1820   -4.2970   -4.1520 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.6860   -3.6320    1.6820 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.7240    3.1020   -0.9720 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.5820    3.5580   -0.6330 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0080    3.8340   -1.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9200    2.7200   -1.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 13  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 11 12  2  0  0  0  0
 11 26  1  0  0  0  0
 13 14  2  0  0  0  0
 13 27  1  0  0  0  0
 15 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28 31  1  0  0  0  0
M  CHG  1  26  -1
M  CHG  1  27  -1
M  CHG  1  28   1
M  END