PUBCHEM-ZINC05502506
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 27 27  0  0  0  0  0  0  0  0999 V2000
   -0.0040    1.1460   -0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0760    1.9040    2.4160 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0480    1.8240    1.1800 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7500    1.5720    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1970    1.7800    0.0420 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9160    1.6350   -1.1310 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3080    1.8450   -1.1000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9690    1.7230   -2.1220 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9070    2.1790    0.0540 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2180    2.3150    1.1660 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8720    2.1190    1.1960 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3860    2.2220    2.0290 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8710    2.6570    2.3200 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2340    1.2670   -2.3930 N   0  3  0  0  0  0  0  0  0  0  0  0
   -3.0490    0.9870   -2.3860 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8590    1.2440   -3.4380 O   0  5  0  0  0  0  0  0  0  0  0  0
    0.0230    0.0560    0.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0150    1.5340   -0.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5390    1.4880   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1300    1.6920    2.2390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2910    1.2720    3.2250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0430    2.9520    2.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5530    2.1810    2.0660 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2450    1.2160   -0.8250 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8310    2.7950    2.3120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3740    2.7600    3.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6890    1.6290    1.1970 N   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  1 18  1  0  0  0  0
  1 19  1  0  0  0  0
  1 27  1  0  0  0  0
  2 20  1  0  0  0  0
  2 21  1  0  0  0  0
  2 22  1  0  0  0  0
  2 27  1  0  0  0  0
  3  4  2  0  0  0  0
  3 23  1  0  0  0  0
  3 27  1  0  0  0  0
  4  5  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  2  0  0  0  0
  5 11  1  0  0  0  0
  6  7  1  0  0  0  0
  6 14  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  2  0  0  0  0
 10 11  1  0  0  0  0
 10 13  1  0  0  0  0
 11 12  1  0  0  0  0
 13 25  1  0  0  0  0
 13 26  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
M  CHG  1  14   1
M  CHG  1  16  -1
M  END