A1JAG
  CCTOOLS-0424261114

 26 25  0  0  0  0  0  0  0  0999 V2000
    3.4680   -0.6960   -0.0950 C   0  0  0  0  0
    2.7250    0.3440    0.7030 C   0  0  0  0  0
    0.7200    1.6570    0.7140 C   0  0  0  0  0
   -0.5560    1.9300   -0.0860 C   0  0  0  0  0
   -2.5860    0.9010   -0.8360 C   0  0  0  0  0
   -3.3660   -0.4140   -0.7970 C   0  0  0  0  0
   -4.4960   -1.9110    0.6970 C   0  0  0  0  0
    3.0040   -1.1080   -1.1320 O   0  0  0  0  0
    1.5050    0.6740    0.0360 O   0  0  0  0  0
   -1.3640    0.7520   -0.1110 O   0  0  0  0  0
   -3.7570   -0.6960    0.5490 O   0  0  0  0  0
    2.5020   -0.0500    1.6940 H   0  0  0  0  0
    3.3410    1.2380    0.7970 H   0  0  0  0  0
    1.2940    2.5780    0.8090 H   0  0  0  0  0
    0.4550    1.2900    1.7060 H   0  0  0  0  0
   -1.1120    2.7420    0.3840 H   0  0  0  0  0
   -0.2920    2.2120   -1.1050 H   0  0  0  0  0
   -2.3650    1.1610   -1.8710 H   0  0  0  0  0
   -3.1840    1.6920   -0.3830 H   0  0  0  0  0
   -4.2540   -0.3290   -1.4230 H   0  0  0  0  0
   -2.7360   -1.2220   -1.1690 H   0  0  0  0  0
   -5.4080   -1.8560    0.1020 H   0  0  0  0  0
   -3.8890   -2.7490    0.3560 H   0  0  0  0  0
   -4.7550   -2.0520    1.7460 H   0  0  0  0  0
    4.6490   -1.1600    0.3420 O   0  0  0  0  0
    5.0890   -1.8260   -0.2040 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  2  9  1  0  0  0
  2 12  1  0  0  0
  2 13  1  0  0  0
  3  4  1  0  0  0
  3 14  1  0  0  0
  3 15  1  0  0  0
  4 10  1  0  0  0
  4 16  1  0  0  0
  4 17  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6 11  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  7 24  1  0  0  0
  8  1  2  0  0  0
  9  3  1  0  0  0
 10  5  1  0  0  0
 11  7  1  0  0  0
 25 26  1  0  0  0
M  END
$$$$
