SIAL-ZINC03091306
  MOE2007           3D
CORINA 3.40 0006  02.08.2006
 20 21  0  0  0  0  0  0  0  0999 V2000
    0.0160    1.3760   -0.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0630   -0.0170   -0.0320 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2840   -0.6980   -0.0480 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4560    0.0690   -0.0630 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4420    1.4690   -0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1960    2.1290   -0.0440 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8030    1.8970   -0.0750 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5970    0.7730   -0.0920 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7740   -0.3210   -0.0800 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1290   -1.2690   -0.0860 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0340    0.6180   -0.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7760    1.6440   -0.1550 O   0  5  0  0  0  0  0  0  0  0  0  0
    4.1990    3.2910   -0.0700 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3560    3.8470    1.0660 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.9430    1.8870   -0.0180 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8640   -0.5850   -0.0210 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3210   -1.7820   -0.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1580    3.2150   -0.0430 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4410   -0.5910   -0.1060 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2440    3.8850   -1.1970 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 15  1  0  0  0  0
  2  3  2  0  0  0  0
  2 16  1  0  0  0  0
  3  4  1  0  0  0  0
  3 17  1  0  0  0  0
  4  5  2  0  0  0  0
  4  9  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 13  1  0  0  0  0
  8  9  1  0  0  0  0
  8 11  1  0  0  0  0
  9 10  1  0  0  0  0
 11 12  1  0  0  0  0
 11 19  2  0  0  0  0
 13 14  1  0  0  0  0
 13 20  2  0  0  0  0
M  CHG  1  12  -1
M  CHG  1  14  -1
M  END