IBS-ZINC04089922
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 31 30  0  0  1  0  0  0  0  0999 V2000
   -0.5890   -2.2750   -2.2100 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8330   -1.9120   -0.7450 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4930   -1.9440    0.0230 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4940   -0.5270   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8410   -0.3170   -1.3110 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.6920   -0.4170   -2.3930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9040   -1.3320   -0.8710 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4880   -1.3440   -1.7910 P   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0230   -2.7570   -1.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6010   -0.3550   -0.6950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3800   -0.4920   -3.0400 O   0  5  0  0  0  0  0  0  0  0  0  0
   -3.2150    1.1580   -1.0670 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3070    1.3620   -0.4410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0520   -3.2260   -2.2910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5310   -2.3880   -2.7550 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0080   -1.5070   -2.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4780   -2.6780   -0.3000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2030   -1.2130   -0.3770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3340   -1.7190    1.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9560   -2.9350   -0.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6420   -0.3360    0.4900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7740    0.2300   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5140   -2.3440   -1.0200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1180   -1.2350    0.1990 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6350   -0.6190   -0.9320 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4070   -0.5450    0.3630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.4890    1.1040   -0.9300 N   0  3  0  0  0  0  0  0  0  0  0  0
   -5.4850    1.3640   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1590    1.7290   -0.4910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3920    1.2310   -1.9510 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190    2.0220   -1.5260 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