PUBCHEM-ZINC06793423
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 32  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.4250    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2000   -0.6370    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3740    0.1060    0.0250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5950   -0.5320    0.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6510   -1.9280    0.0270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4680   -2.6720    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2510   -2.0250   -0.0030 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5220   -4.1510    0.0040 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.4900   -4.7980   -0.0090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5980   -4.7210    0.0120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.9570   -2.6160    0.0370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9850   -2.3610    0.8990 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0280   -3.2290    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.5890   -3.9870   -0.5000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3340   -3.5940   -0.8050 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3520   -5.0310   -1.1840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4820   -5.2950   -0.8200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8010   -5.7010   -2.2180 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6030   -6.7080   -2.8390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8020    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.7860   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.7760    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3290    1.1850    0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5070    0.0460    0.0460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3360   -2.5990   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9910   -1.6260    1.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9920   -3.2930    1.0480 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8660   -7.4680   -2.1030 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5120   -6.2550   -3.2340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0430   -7.1680   -3.6530 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 21  1  0  0  0  0
  1 22  1  0  0  0  0
  1 23  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3  8  2  0  0  0  0
  4  5  2  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5 25  1  0  0  0  0
  6  7  2  0  0  0  0
  6 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  8 26  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 12 13  2  0  0  0  0
 12 16  1  0  0  0  0
 13 14  1  0  0  0  0
 13 27  1  0  0  0  0
 14 15  2  0  0  0  0
 14 28  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 29  1  0  0  0  0
 20 30  1  0  0  0  0
 20 31  1  0  0  0  0
M  CHG  1   9   1
M  CHG  1  11  -1
M  END