KDO
  CCTOOLS-0123261305

 30 30  0  0  1  0  0  0  0  0999 V2000
    1.5410   -0.2690   -2.2610 C   0  0  0  0  0
    2.3640   -1.0610   -1.8680 O   0  0  0  0  0
    1.5650    0.1460   -3.5370 O   0  0  0  0  0
    0.4860    0.2510   -1.3190 C   0  0  0  0  0
    0.6020    1.6710   -1.2150 O   0  0  0  0  0
   -0.8990   -0.1080   -1.8590 C   0  0  0  0  0
   -1.9650    0.4530   -0.9130 C   0  0  0  0  0
   -3.2570    0.0010   -1.3230 O   0  0  0  0  0
   -1.6690   -0.0430    0.5060 C   0  0  0  0  0
   -1.8450   -1.4600    0.5630 O   0  0  0  0  0
   -0.2260    0.3120    0.8680 C   0  0  0  0  0
    0.6700   -0.3350   -0.0320 O   0  0  0  0  0
    0.0680   -0.1470    2.2970 C   0  0  0  0  0
   -0.8270    0.5020    3.2010 O   0  0  0  0  0
    1.5100    0.2100    2.6620 C   0  0  0  0  0
    1.7850   -0.2190    3.9970 O   0  0  0  0  0
    2.2420   -0.1870   -4.1420 H   0  0  0  0  0
    1.4890    1.8560   -0.8760 H   0  0  0  0  0
   -1.0270    0.3250   -2.8510 H   0  0  0  0  0
   -0.9970   -1.1920   -1.9180 H   0  0  0  0  0
   -1.9360    1.5430   -0.9330 H   0  0  0  0  0
   -3.3940    0.3250   -2.2230 H   0  0  0  0  0
   -2.3490    0.4370    1.2100 H   0  0  0  0  0
   -2.7650   -1.6370    0.3230 H   0  0  0  0  0
   -0.0910    1.3920    0.8000 H   0  0  0  0  0
   -0.0660   -1.2270    2.3660 H   0  0  0  0  0
   -0.6760    1.4530    3.1090 H   0  0  0  0  0
    1.6450    1.2890    2.5930 H   0  0  0  0  0
    2.1930   -0.2850    1.9730 H   0  0  0  0  0
    2.7010    0.0240    4.1860 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  1  4  1  0  0  0
  3 17  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  4 12  1  0  0  0
  5 18  1  0  0  0
  6  7  1  0  0  0
  6 19  1  0  0  0
  6 20  1  0  0  0
  7  8  1  0  0  0
  7  9  1  0  0  0
  7 21  1  0  0  0
  8 22  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
  9 23  1  0  0  0
 10 24  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 25  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 13 26  1  0  0  0
 14 27  1  0  0  0
 15 16  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
 16 30  1  0  0  0
M  END
$$$$
