MDPI-ZINC03844330
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
    0.3170    1.5460   -0.2700 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0610    0.1240   -0.4120 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0750   -0.6380   -0.8640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1460   -0.1290   -1.1300 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8870   -2.0940   -1.0340 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4100   -2.8750    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2420   -4.1740   -0.1330 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.5150   -4.7830   -1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9910   -4.0780   -2.3630 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1790   -2.7110   -2.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6810   -1.9220   -3.4040 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.0450   -2.4890   -4.4190 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7300   -0.7080   -3.3340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2430   -4.9370    0.9570 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.1340    1.6990    0.4360 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5900    1.9650   -1.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5800    2.0420    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1760   -2.4130    0.9670 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640   -5.8490   -1.3540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2100   -4.5880   -3.2890 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
  3  4  2  0  0  0  0
  3  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5 10  2  0  0  0  0
  6  7  2  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 14  1  0  0  0  0
  8  9  2  0  0  0  0
  8 19  1  0  0  0  0
  9 10  1  0  0  0  0
  9 20  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
M  CHG  1   7   1
M  CHG  1  11   1
M  CHG  1  13  -1
M  CHG  1  14  -1
M  END