A1C9S
  CCTOOLS-0313261112

 27 28  0  0  0  0  0  0  0  0999 V2000
    5.1010    0.2680   -0.2590 C   0  0  0  0  0
   -4.7710    0.7600    0.2530 C   0  0  0  0  0
    1.4750   -0.6130    0.3610 C   0  0  0  0  0
    2.8500   -0.7240    0.2270 C   0  0  0  0  0
    3.6060    0.3890   -0.1140 C   0  0  0  0  0
    2.9900    1.6090   -0.3190 C   0  0  0  0  0
    1.6190    1.7240   -0.1860 C   0  0  0  0  0
    0.8570    0.6120    0.1490 C   0  0  0  0  0
   -1.3310   -0.2890   -0.0890 C   0  0  0  0  0
   -2.7870   -0.1300   -0.0440 C   0  0  0  0  0
   -3.7090   -1.0760   -0.3920 C   0  0  0  0  0
   -4.9730   -0.4980   -0.1950 C   0  0  0  0  0
   -0.5300    0.7290    0.2830 N   0  0  0  0  0
   -0.8450   -1.3400   -0.4630 O   0  0  0  0  0
   -3.4520    0.9800    0.3400 O   0  0  0  0  0
    3.4580   -1.9230    0.4290 O   0  0  0  0  0
    5.5770    0.4640    0.7020 H   0  0  0  0  0
    5.3530   -0.7400   -0.5900 H   0  0  0  0  0
    5.4550    0.9910   -0.9940 H   0  0  0  0  0
   -5.5440    1.4730    0.4970 H   0  0  0  0  0
    0.8860   -1.4780    0.6250 H   0  0  0  0  0
    3.5800    2.4730   -0.5830 H   0  0  0  0  0
    1.1400    2.6790   -0.3470 H   0  0  0  0  0
   -3.5050   -2.0740   -0.7490 H   0  0  0  0  0
   -5.9290   -0.9710   -0.3700 H   0  0  0  0  0
   -0.9150    1.5420    0.6440 H   0  0  0  0  0
    3.5340   -2.4640   -0.3690 H   0  0  0  0  0
  1  5  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2 15  1  0  0  0
  2 20  1  0  0  0
  3  4  2  0  0  0
  3 21  1  0  0  0
  4 16  1  0  0  0
  5  6  2  0  0  0
  5  4  1  0  0  0
  6  7  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 13  1  0  0  0
  8  3  1  0  0  0
  9 14  2  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 24  1  0  0  0
 12  2  2  0  0  0
 12 25  1  0  0  0
 13  9  1  0  0  0
 13 26  1  0  0  0
 16 27  1  0  0  0
M  END
$$$$
