NCID-ZINC04367270
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  0  0  0  0  0  0999 V2000
   -0.0190    1.1480    0.4950 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0750   -0.1970    0.0950 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3110   -0.6340   -0.3980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230    0.2170   -0.4780 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3180    1.5560   -0.0660 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0770    2.0200    0.4220 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9490    3.3410    0.8300 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5210    2.4800   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3580    3.6860    0.2390 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.4830   -1.9780   -0.9190 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2530   -2.7290   -0.3020 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9380   -2.2340   -2.0040 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1150   -1.1010    0.2420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8770   -2.3290    0.4500 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9690    1.5180    0.8780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3720   -0.1470   -0.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1020    3.7470    1.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8330    3.8880    0.7320 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5980    1.9900   -0.6200 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2610   -0.5600    0.1750 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 13  1  0  0  0  0
  3  4  1  0  0  0  0
  3 10  1  0  0  0  0
  4  5  2  0  0  0  0
  4 16  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  7 17  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  1  0  0  0  0
  8 19  2  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
M  CHG  1   9  -1
M  CHG  1  10   1
M  CHG  1  12  -1
M  CHG  1  14  -1
M  END