NCID-ZINC01580197
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 20  0  0  1  0  0  0  0  0999 V2000
    0.0160    1.3710    0.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0040   -0.0260    0.1870 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1970   -0.7290    0.0380 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4110   -0.0480   -0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4190    1.3490   -0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2250    2.0760    0.0810 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2190    3.5970    0.1050 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.1950    3.9380    0.3150 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0720    4.1570    1.1650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7040    4.5850    2.0410 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6120    4.1530   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8450    4.1510   -1.5460 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1810   -2.1930    0.0160 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.0850   -2.7610    0.1290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2650   -2.7820   -0.1120 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9250    1.9090    0.3130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9570   -0.5400    0.2840 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3540   -0.5750   -0.2180 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3680    1.8730   -0.1910 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400    4.5600   -1.9690 O   0  5  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 16  1  0  0  0  0
  2  3  2  0  0  0  0
  2 17  1  0  0  0  0
  3  4  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  2  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  1  0  0  0  0
  9 10  3  0  0  0  0
 11 12  2  0  0  0  0
 11 20  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  CHG  1  20  -1
M  END