IBS-ZINC04089923
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
   -0.5350    2.4750   -1.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2520    1.2090   -0.8830 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6520    1.5490    0.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5440    0.5310   -0.3770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5040    0.0700   -1.4820 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.8540    0.9380   -2.0510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7260   -0.6540   -0.9100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8290    0.3590    0.0980 P   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4420    1.5030   -0.6610 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1790   -0.8690    0.4940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3420    0.4560    1.5530 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.8510   -0.9520   -2.4280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3070   -1.9500   -1.8760 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3990    2.9750   -1.9720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0670    2.2440   -2.6210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1400    3.1860   -1.1200 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2970    0.5080   -1.5230 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1660    2.2580    0.9850 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9000    0.6470    0.8770 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5920    1.9950   -0.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2680   -0.3260    0.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0690    1.2340    0.2810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3290   -1.0580   -1.7330 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4190   -1.5140   -0.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1710   -0.4580    0.2990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0210   -1.8470    0.0380 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0400   -1.0280    1.9940 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.7180   -1.9410    2.3160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8010   -0.6250    2.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1840   -0.3380    2.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9510   -0.6750   -3.6570 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  1 16  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 17  1  0  0  0  0
  3 18  1  0  0  0  0
  3 19  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4 21  1  0  0  0  0
  4 22  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  7  8  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8  9  2  0  0  0  0
  8 10  1  0  0  0  0
  8 11  1  0  0  0  0
 10 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 13  2  0  0  0  0
 12 31  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  1  0  0  0  0
 27 30  1  0  0  0  0
M  CHG  1  11  -1
M  CHG  1  27   1
M  CHG  1  31  -1
M  END