PUBCHEM-ZINC05851576
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 31  0  0  1  0  0  0  0  0999 V2000
   -0.0870    1.4190    0.2810 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0540    0.0630   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1700   -0.5970   -0.1680 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3730    0.0960    0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3280    1.4610    0.3450 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1020    2.1180    0.4750 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6950   -0.6160   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0930   -0.7990   -1.5750 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9210   -1.8490   -3.0240 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.5300   -1.0980   -3.7180 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4540   -1.8390   -3.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0370   -0.6620   -2.2290 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3350   -0.3490   -1.2060 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4690   -3.2860   -3.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0140   -3.9160   -2.4000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0400    1.9300    0.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9810   -0.4830   -0.1950 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790   -1.6560   -0.4160 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2480    2.0220    0.4990 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    3.1750    0.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4740   -0.0570    0.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6280   -1.5900    0.3900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660   -1.4100   -2.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2110    0.1630   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8460   -2.7550   -2.5470 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8290   -1.8210   -4.0390 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3960   -1.4950   -1.6320 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.1830   -0.9130   -1.1610 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3390   -2.4290   -1.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1040   -0.1690   -2.6690 O   0  5  0  0  0  0  0  0  0  0  0  0
    5.5800   -3.6180   -4.6170 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 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 18  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 19  1  0  0  0  0
  6 20  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 14  1  0  0  0  0
  9 27  1  0  0  0  0
 11 12  1  0  0  0  0
 11 25  1  0  0  0  0
 11 26  1  0  0  0  0
 12 13  2  0  0  0  0
 12 30  1  0  0  0  0
 14 15  2  0  0  0  0
 14 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
M  CHG  1  27   1
M  CHG  1  30  -1
M  CHG  1  31  -1
M  END