MDPI-ZINC03847498
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
   -0.1450    1.5070    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0720    0.0060    0.0020 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0450   -0.7250    1.1920 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1040   -2.1150    1.1610 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0510   -2.8080   -0.0310 N   0  3  0  0  0  0  0  0  0  0  0  0
   -0.0550   -2.0880   -1.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1080   -0.6830   -1.2280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2030   -0.0080   -2.5780 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2530    1.1700   -2.6890 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.1030   -4.0780   -0.0410 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.7910    1.9560   -0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9860    1.8900   -0.4980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3090    1.8380    1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0870   -0.2170    2.1530 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1900   -2.7490    2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0880   -2.7100   -2.0900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7220   -0.6950   -3.5120 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 11  1  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2  3  1  0  0  0  0
  2  7  2  0  0  0  0
  3  4  2  0  0  0  0
  3 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 15  1  0  0  0  0
  5  6  2  0  0  0  0
  5 10  1  0  0  0  0
  6  7  1  0  0  0  0
  6 16  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  2  0  0  0  0
M  CHG  1   5   1
M  CHG  1   9  -1
M  CHG  1  10  -1
M  END