MDPI-ZINC03852622
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0580    1.4360    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900    0.0450    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1030   -0.6770   -0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500   -0.0150   -0.0260 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3760    1.4000   -0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650    2.1100    0.0130 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6090    2.0640   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8160    1.3590   -0.0390 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7650   -0.0370   -0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5660   -0.7330   -0.0480 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5830   -2.0130   -0.0630 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.1430    2.0710   -0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1150    3.3400   -0.0310 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9870    2.0000    0.0370 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0410   -0.4800    0.0090 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720   -1.7650   -0.0310 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1650    3.1980    0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6410    3.1540   -0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6360   -0.6770   -0.0720 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1810    1.3420   -0.0660 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 14  1  0  0  0  0
  2  3  2  0  0  0  0
  2 15  1  0  0  0  0
  3  4  1  0  0  0  0
  3 16  1  0  0  0  0
  4  5  1  0  0  0  0
  4 10  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6 17  1  0  0  0  0
  7  8  1  0  0  0  0
  7 18  1  0  0  0  0
  8  9  2  0  0  0  0
  8 12  1  0  0  0  0
  9 10  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 12 13  1  0  0  0  0
 12 20  2  0  0  0  0
M  CHG  1  10   1
M  CHG  1  11  -1
M  CHG  1  13  -1
M  END