IBS-ZINC04089870
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 30 29  0  0  1  0  0  0  0  0999 V2000
    0.8080    0.2780   -0.5910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2500   -0.7320   -0.1700 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.2010   -1.5970   -0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6580   -0.1460   -0.2040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3760   -0.0070   -1.8710 P   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3150   -1.3630   -2.5570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1400    0.2620   -1.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1160   -0.1520   -2.5530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3860   -1.6640   -2.6090 C   0  0  3  0  0  0  0  0  0  0  0  0
   -5.5770   -2.0770   -1.6130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6150   -1.8810   -3.5230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2880   -2.3430   -4.6630 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8780    1.2410   -2.5540 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0820   -1.1930    1.2540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2170   -0.3950    2.1880 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140   -0.1450   -0.4940 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6710    0.5740   -1.6350 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7710    1.1840    0.0250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3270   -0.7930    0.3760 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6930    0.8440    0.2650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3820   -0.2700   -0.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2530    1.3320   -1.2430 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0620    0.3710   -2.3620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7520    0.2070   -3.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7430   -1.6130   -3.0340 O   0  5  0  0  0  0  0  0  0  0  0  0
   -4.2050   -2.3970   -3.1580 N   0  3  0  0  0  0  0  0  0  0  0  0
   -4.1360   -3.3620   -2.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2390   -1.9350   -2.9340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3350   -2.4070   -4.1840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6400   -2.3260    1.3300 O   0  5  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
  2  4  1  0  0  0  0
  2 14  1  0  0  0  0
  4  5  1  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
  5  6  2  0  0  0  0
  5  7  1  0  0  0  0
  5 13  1  0  0  0  0
  7  8  1  0  0  0  0
  7 21  1  0  0  0  0
  7 22  1  0  0  0  0
  8  9  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 11  1  0  0  0  0
  9 26  1  0  0  0  0
 11 12  2  0  0  0  0
 11 25  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 26 27  1  0  0  0  0
 26 28  1  0  0  0  0
 26 29  1  0  0  0  0
M  CHG  1  13  -1
M  CHG  1  25  -1
M  CHG  1  26   1
M  CHG  1  30  -1
M  END