ICA
  CCTOOLS-0522260957

 21 20  0  0  1  0  0  0  0  0999 V2000
    1.5130    1.3950    0.6850 C   0  0  0  0  0
    2.2710    1.7650   -0.1800 O   0  0  0  0  0
    1.2730    2.1790    1.7480 O   0  0  0  0  0
    0.8320    0.0560    0.5680 C   0  0  0  0  0
    1.3290   -0.6320   -0.5820 O   0  0  0  0  0
   -0.6770    0.2610    0.4270 C   0  0  0  0  0
   -1.3800   -1.0980    0.4340 C   0  0  0  0  0
   -2.8730   -0.8920    0.4190 C   0  0  0  0  0
   -3.3280    0.2280    0.4040 O   0  0  0  0  0
   -3.6970   -1.9510    0.4210 O   0  0  0  0  0
   -0.9690    0.9710   -0.8700 C   0  0  0  0  0
   -0.0620    1.2810   -1.6060 O   0  0  0  0  0
   -2.2350    1.2590   -1.2070 O   0  0  0  0  0
    3.0290   -1.8550   -0.1930 CA  0  0  0  0  0
    1.7330    3.0290    1.7790 H   0  0  0  0  0
    1.0370   -0.5350    1.4610 H   0  0  0  0  0
   -1.0410    0.8620    1.2600 H   0  0  0  0  0
   -1.0830   -1.6650   -0.4480 H   0  0  0  0  0
   -1.0980   -1.6480    1.3320 H   0  0  0  0  0
   -4.6460   -1.7690    0.4110 H   0  0  0  0  0
   -2.3730    1.7150   -2.0490 H   0  0  0  0  0
  1  4  1  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  3 15  1  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  4 16  1  0  0  0
  5 14  1  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 17  1  0  0  0
  7  8  1  0  0  0
  7 18  1  0  0  0
  7 19  1  0  0  0
  8  9  2  0  0  0
  8 10  1  0  0  0
 10 20  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 21  1  0  0  0
M  END
$$$$
