PUBCHEM-ZINC05893018
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 27 27  0  0  1  0  0  0  0  0999 V2000
   -0.2710    1.4600    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0900   -0.0140    0.1370 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0250   -0.8160    1.1830 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1060   -2.0820    0.6690 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1410   -2.0590   -0.7080 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0260   -0.7320   -1.0350 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0240   -0.2130   -2.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4300   -0.1440   -2.9980 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.9690   -1.0900   -2.8700 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3720    0.2150   -4.4880 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2240    0.8860   -2.3810 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3500    0.6480   -1.4400 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1930   -3.2300    1.5320 N   0  3  0  0  0  0  0  0  0  0  0  0
    0.1040   -3.0440    2.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3590   -4.3260    0.9770 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.5440    1.9780   -0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2210    1.7520   -0.2560 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2790    1.7980    1.2410 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -2.8450   -1.4460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6190   -0.8800   -2.9810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4450    0.7760   -2.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0640   -0.6180   -5.1250 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7340    1.0870   -4.6660 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7440    0.6360   -4.8900 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.7680    1.1900   -5.7540 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3890   -0.1580   -4.9780 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0930    1.2190   -4.1040 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  2  0  0  0  0
  2  6  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  2  0  0  0  0
  4 13  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 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 22  1  0  0  0  0
 10 23  1  0  0  0  0
 10 24  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  2  0  0  0  0
 13 15  1  0  0  0  0
 24 25  1  0  0  0  0
 24 26  1  0  0  0  0
 24 27  1  0  0  0  0
M  CHG  1  13   1
M  CHG  1  15  -1
M  CHG  1  24   1
M  END