3AK
  CCTOOLS-0919241042

 29 31  0  0  0  0  0  0  0  0999 V2000
    0.0620   -2.7420   -0.4620 O   0  0  0  0  0
    0.6650   -1.6990   -0.3170 C   0  0  0  0  0
    1.9680   -1.5220    0.4050 C   0  0  0  0  0
    2.6310   -2.3760    0.9570 O   0  0  0  0  0
    2.2670   -0.0830    0.2960 C   0  0  0  0  0
    0.2910   -0.4930   -0.7770 N   0  0  0  0  0
    1.2110    0.4930   -0.4300 C   0  0  0  0  0
    1.2350    1.8580   -0.6840 C   0  0  0  0  0
    2.2840    2.6330   -0.2270 C   0  0  0  0  0
    3.3240    2.0630    0.4890 C   0  0  0  0  0
    3.3210    0.7080    0.7530 C   0  0  0  0  0
   -0.9320   -0.2470   -1.5450 C   0  0  0  0  0
   -2.0600    0.0800   -0.6010 C   0  0  0  0  0
   -2.3000    1.3920   -0.2370 C   0  0  0  0  0
   -3.3340    1.6920    0.6290 C   0  0  0  0  0
   -4.1300    0.6790    1.1320 C   0  0  0  0  0
   -3.8910   -0.6330    0.7680 C   0  0  0  0  0
   -2.8600   -0.9320   -0.1020 C   0  0  0  0  0
    0.4310    2.3150   -1.2410 H   0  0  0  0  0
    2.2930    3.6930   -0.4300 H   0  0  0  0  0
    4.1390    2.6790    0.8400 H   0  0  0  0  0
    4.1310    0.2630    1.3110 H   0  0  0  0  0
   -0.7720    0.5910   -2.2240 H   0  0  0  0  0
   -1.1860   -1.1370   -2.1200 H   0  0  0  0  0
   -1.6780    2.1830   -0.6300 H   0  0  0  0  0
   -3.5210    2.7170    0.9130 H   0  0  0  0  0
   -4.9370    0.9140    1.8100 H   0  0  0  0  0
   -4.5120   -1.4240    1.1620 H   0  0  0  0  0
   -2.6730   -1.9570   -0.3870 H   0  0  0  0  0
  1  2  2  0  0  0
  2  3  1  0  0  0
  2  6  1  0  0  0
  3  5  1  0  0  0
  4  3  2  0  0  0
  5  7  2  0  0  0
  5 11  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 19  1  0  0  0
  9 20  1  0  0  0
 10  9  1  0  0  0
 10 21  1  0  0  0
 11 10  2  0  0  0
 11 22  1  0  0  0
 12  6  1  0  0  0
 12 23  1  0  0  0
 12 24  1  0  0  0
 13 12  1  0  0  0
 14 13  2  0  0  0
 14 25  1  0  0  0
 15 14  1  0  0  0
 15 26  1  0  0  0
 16 15  2  0  0  0
 16 17  1  0  0  0
 16 27  1  0  0  0
 17 18  2  0  0  0
 17 28  1  0  0  0
 18 13  1  0  0  0
 18 29  1  0  0  0
M  END
$$$$
