MDPI-ZINC01708314
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 17 17  0  0  0  0  0  0  0  0999 V2000
    0.1090    1.4520    0.0960 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0190    0.0060    0.0560 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1800   -0.6770    1.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4550   -0.1070    2.3230 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0410   -2.1360    1.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1660   -2.7250    0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2770   -1.9930   -1.1200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4290   -2.4630   -2.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1990   -0.6230   -1.1670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3150   -0.0380   -2.2440 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.1170   -3.0050    2.4390 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0460   -3.8650    2.4320 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1350    1.7300    0.3560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1560    1.9120   -0.8600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5580    1.8360    0.8750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2630   -3.8030   -0.0780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7920   -2.8140    3.2950 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 13  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2  9  1  0  0  0  0
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  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
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
M  CHG  1  12  -1
M  END