IFLAB-ZINC02451758
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
    0.0490    1.5650   -0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0510    0.0490    0.0640 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4340   -0.3900   -0.8180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5090   -0.4870    0.0150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6730   -1.6450    0.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6940   -0.4220    1.2460 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7770   -1.2570    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3240   -1.6870    0.1640 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2510   -1.5570    2.5600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2720   -0.8380    3.4660 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3650   -0.0920    2.5350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5020    0.6810    2.9170 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0920    1.8950   -0.0220 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3490    1.8920   -1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5150    2.0860    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2440   -2.6360    2.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2680   -1.1750    2.6890 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6850   -1.5440    4.0610 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7830   -0.1390    4.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3600    0.2670   -0.5390 O   0  5  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  4  1  0  0  0  0
  2  6  1  0  0  0  0
  4  5  2  0  0  0  0
  4 20  1  0  0  0  0
  6  7  1  0  0  0  0
  6 11  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 16  1  0  0  0  0
  9 17  1  0  0  0  0
 10 11  1  0  0  0  0
 10 18  1  0  0  0  0
 10 19  1  0  0  0  0
 11 12  2  0  0  0  0
M  CHG  1  20  -1
M  END