NCID-ZINC01606347
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0220    1.8060    0.0120 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 S   0  0  0  0  0  0  0  0  0  0  0  0
    0.8350   -0.2820   -1.4680 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3040    0.6680   -2.3150 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8750    0.0910   -3.3140 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7970   -1.2480   -3.1520 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1480   -1.4820   -1.9890 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2980   -2.2100   -4.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9840   -1.9640   -5.2360 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2970   -3.2010   -5.7650 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8120   -4.1590   -4.8900 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2250   -3.5500   -3.8540 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9290   -5.6240   -5.0700 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.5360   -6.1100   -6.1330 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4270   -6.4410   -4.1670 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0000    2.1830    0.0040 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5500    2.1670   -0.8710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5330    2.1570    0.9090 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2150   -1.0000   -5.6640 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8220   -3.3870   -6.6900 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  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  2  0  0  0  0
 10 20  1  0  0  0  0
 11 12  1  0  0  0  0
 11 13  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  END