IBS-ZINC01788405
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 21 20  0  0  0  0  0  0  0  0999 V2000
    0.0900    1.4490   -0.0550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0200   -0.0170    0.0030 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.7500   -0.4950    1.1850 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3840   -0.4380    0.0910 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6270   -0.5850   -1.2090 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0840   -0.2050   -1.2660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5450    0.5570   -0.4430 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8750   -0.7130   -2.2330 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    1.7670    0.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3280    1.7950   -1.0010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4810    1.8730    0.7710 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2180   -0.1910    2.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8200   -1.5820    1.1540 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7520   -0.0660    1.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9250   -0.0830   -0.7860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4360   -1.5260    0.1340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340   -0.0160    0.9900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5340   -1.6700   -1.1870 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1140   -0.1940   -2.0880 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5060   -1.3220   -2.8910 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8130   -0.4680   -2.2700 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  3 14  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 20  1  0  0  0  0
  8 21  1  0  0  0  0
M  CHG  1   2   1
M  END