NCID-ZINC01571406
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
   -0.0170    1.4250    0.0100 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0020   -0.0040    0.0020 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2840   -0.5980    0.0110 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5690   -1.9420    0.0070 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7910   -3.0950   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3940   -4.3220   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7790   -4.4280    0.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5640   -3.3130    0.0190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9710   -2.0430    0.0200 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4710   -0.7920    0.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5170    0.0710    0.0330 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -5.5470   -0.0240 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.6500   -5.4600   -0.0360 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960   -6.6430   -0.0240 O   0  5  0  0  0  0  0  0  0  0  0  0
    1.0050    1.8020    0.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5440    1.7860   -0.8730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5280    1.7760    0.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2860   -3.0220   -0.0190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390   -5.4050    0.0050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6400   -3.4080    0.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  1 17  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  1  0  0  0  0
  4  9  2  0  0  0  0
  5  6  2  0  0  0  0
  5 18  1  0  0  0  0
  6  7  1  0  0  0  0
  6 12  1  0  0  0  0
  7  8  2  0  0  0  0
  7 19  1  0  0  0  0
  8  9  1  0  0  0  0
  8 20  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
M  CHG  1  12   1
M  CHG  1  14  -1
M  END