APOLLO-ZINC00163345
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 16 16  0  0  0  0  0  0  0  0999 V2000
    0.1030    1.3460   -0.5990 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150   -0.0310   -0.3740 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2930   -0.7000    0.0210 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4770    0.0350    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4370    1.4180   -0.0280 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2700    2.0810   -0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6110    2.2420    0.1370 N   0  3  0  0  0  0  0  0  0  0  0  0
    3.7610    2.7920    1.2360 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3530    2.3670   -0.8470 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.2450   -0.9160    0.8820 I   0  0  0  0  0  0  0  0  0  0  0  0
    1.2060   -2.1810    0.2190 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7700   -2.9050   -0.6560 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.8170    1.8370   -0.9050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8030   -0.6030   -0.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2610    3.1540   -0.6070 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5430   -2.5730    1.2270 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  6  2  0  0  0  0
  1 13  1  0  0  0  0
  2  3  2  0  0  0  0
  2 14  1  0  0  0  0
  3  4  1  0  0  0  0
  3 11  1  0  0  0  0
  4  5  2  0  0  0  0
  4 10  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 15  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
 11 12  1  0  0  0  0
 11 16  2  0  0  0  0
M  CHG  1   7   1
M  CHG  1   9  -1
M  CHG  1  12  -1
M  END