IBS-ZINC04089174
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 27 26  0  0  1  0  0  0  0  0999 V2000
    1.1480    1.3270   -0.3160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1160    0.3050    0.8250 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3120   -0.1890    1.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1030    0.7020    1.5040 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2210    2.4130   -0.1120 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7440    2.2790    0.8420 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6590    3.8410   -0.1570 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8070    4.4540    1.3210 P   0  0  0  0  0  0  0  0  0  0  0  0
    0.7960    5.9620    1.3430 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9470    3.8810    1.1060 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1010    3.6040    2.5600 O   0  5  0  0  0  0  0  0  0  0  0  0
    3.2510    2.2640   -1.2510 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8870    2.6850   -2.3870 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3200    0.7680   -1.2460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1670    1.7880   -0.4520 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7920   -0.5290    0.6080 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4450    0.7490    1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4950    4.5370   -0.3090 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9930    3.9770   -1.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6410    4.7000    1.3080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1560    3.4050    0.1490 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5400   -1.3950    0.7680 O   0  5  0  0  0  0  0  0  0  0  0  0
   -1.1290    2.8770    2.2010 N   0  3  0  0  0  0  0  0  0  0  0  0
   -1.1800    1.8460    1.8620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8340    3.0590    2.9070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1460    2.9430    2.6630 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3450    1.7280   -0.9120 O   0  5  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  3  1  0  0  0  0
  2 16  1  0  0  0  0
  2 17  1  0  0  0  0
  3  4  2  0  0  0  0
  3 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 18  1  0  0  0  0
  7 19  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 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 23  1  0  0  0  0
 12 13  2  0  0  0  0
 12 27  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 26  1  0  0  0  0
M  CHG  1  11  -1
M  CHG  1  22  -1
M  CHG  1  23   1
M  CHG  1  27  -1
M  END