A1CAU
  CCTOOLS-0508261013

 30 31  0  0  0  0  0  0  0  0999 V2000
   -0.6800   -1.9900   -0.0950 C   0  0  0  0  0
   -0.8960   -0.6110   -0.2180 C   0  0  0  0  0
    0.5870   -2.4790   -0.0570 C   0  0  0  0  0
    3.9950   -1.0140   -0.6000 C   0  0  0  0  0
    1.7290   -1.5570   -0.0070 C   0  0  0  0  0
    2.9280   -1.8850   -0.6520 C   0  0  0  0  0
    3.8850    0.1800    0.0920 C   0  0  0  0  0
    1.6290   -0.3500    0.6950 C   0  0  0  0  0
    2.7050    0.5100    0.7370 C   0  0  0  0  0
   -2.4700    1.3190   -0.4190 C   0  0  0  0  0
   -2.1850   -0.0990   -0.1340 C   0  0  0  0  0
   -3.3280   -0.9500    0.2430 C   0  0  0  0  0
   -4.7370    0.9140    0.0310 C   0  0  0  0  0
   -4.5510   -0.3850    0.3030 N   0  0  0  0  0
   -3.7440    1.7470   -0.3130 N   0  0  0  0  0
    5.0360    1.1100    0.1420 N   0  3  0  0  0
   -1.5780    2.0830   -0.7370 O   0  0  0  0  0
   -5.8640    1.3630    0.1080 O   0  0  0  0  0
   -3.1720   -2.1310    0.4920 O   0  0  0  0  0
    6.0750    0.8230   -0.4250 O   0  5  0  0  0
    4.9430    2.1610    0.7500 O   0  0  0  0  0
   -1.5210   -2.6640   -0.0270 H   0  0  0  0  0
   -0.0600    0.0540   -0.3780 H   0  0  0  0  0
    0.7550   -3.5460   -0.0630 H   0  0  0  0  0
    4.9200   -1.2650   -1.0970 H   0  0  0  0  0
    3.0170   -2.8190   -1.1890 H   0  0  0  0  0
    0.7080   -0.0890    1.1950 H   0  0  0  0  0
    2.6280    1.4430    1.2750 H   0  0  0  0  0
   -5.3140   -0.9310    0.5500 H   0  0  0  0  0
   -3.9490    2.6770   -0.4980 H   0  0  0  0  0
  1 22  1  0  0  0
  2  1  1  0  0  0
  2 23  1  0  0  0
  3  1  2  0  0  0
  3 24  1  0  0  0
  4  6  2  0  0  0
  4 25  1  0  0  0
  5  6  1  0  0  0
  5  3  1  0  0  0
  6 26  1  0  0  0
  7  4  1  0  0  0
  8  5  2  0  0  0
  8 27  1  0  0  0
  9  7  2  0  0  0
  9  8  1  0  0  0
  9 28  1  0  0  0
 10 17  2  0  0  0
 11  2  2  0  0  0
 11 10  1  0  0  0
 12 11  1  0  0  0
 13 15  1  0  0  0
 14 12  1  0  0  0
 14 13  1  0  0  0
 14 29  1  0  0  0
 15 10  1  0  0  0
 15 30  1  0  0  0
 16 20  1  0  0  0
 16  7  1  0  0  0
 18 13  2  0  0  0
 19 12  2  0  0  0
 21 16  2  0  0  0
M  CHG  1  16   1
M  CHG  1  20  -1
M  END
$$$$
