A1EDE
  CCTOOLS-0410261002

 34 36  0  0  0  0  0  0  0  0999 V2000
    1.7450   -0.7120    0.2790 C   0  0  0  0  0
    4.1840    0.5650    0.5890 C   0  0  0  0  0
    2.1090   -0.2010    1.5160 C   0  0  0  0  0
    6.1740    0.6510   -0.8010 C   0  0  0  0  0
   -2.8480    1.0010   -0.0740 C   0  0  0  0  0
   -2.9620   -0.3830   -0.0520 C   0  0  0  0  0
   -1.8200   -1.1710    0.0150 C   0  0  0  0  0
   -0.5700   -0.5720    0.0600 C   0  0  0  0  0
   -0.4630    0.8120    0.0370 C   0  0  0  0  0
   -1.6000    1.5930   -0.0290 C   0  0  0  0  0
    2.6080   -0.5870   -0.7990 C   0  0  0  0  0
    3.8260    0.0510   -0.6450 C   0  0  0  0  0
    3.3250    0.4350    1.6670 C   0  0  0  0  0
    4.9280    0.3150   -1.6480 C   0  0  0  0  0
    5.5510    1.2090    0.4970 C   0  0  0  0  0
   -4.2240   -0.9820   -0.0960 N   0  0  0  0  0
   -4.0630    1.8420   -0.1520 N   0  3  0  0  0
    0.5500   -1.3400    0.1260 O   0  0  0  0  0
   -4.9980    1.4980   -0.8530 O   0  5  0  0  0
   -4.1290    2.8780    0.4860 O   0  0  0  0  0
   -1.9570   -2.9010    0.0440 CL  0  0  0  0  0
    1.4410   -0.2990    2.3600 H   0  0  0  0  0
    6.7580   -0.2460   -0.5950 H   0  0  0  0  0
    6.7870    1.4060   -1.2920 H   0  0  0  0  0
    0.5110    1.2780    0.0720 H   0  0  0  0  0
   -1.5140    2.6700   -0.0510 H   0  0  0  0  0
    2.3290   -0.9890   -1.7620 H   0  0  0  0  0
    3.6050    0.8370    2.6300 H   0  0  0  0  0
    4.6660    1.1590   -2.2860 H   0  0  0  0  0
    5.1110   -0.5740   -2.2520 H   0  0  0  0  0
    5.4550    2.2930    0.4350 H   0  0  0  0  0
    6.1590    0.9310    1.3580 H   0  0  0  0  0
   -5.0220   -0.4310   -0.1080 H   0  0  0  0  0
   -4.3010   -1.9490   -0.1150 H   0  0  0  0  0
  1 18  1  0  0  0
  1  3  2  0  0  0
  2 13  2  0  0  0
  3 22  1  0  0  0
  4 15  1  0  0  0
  4 23  1  0  0  0
  4 24  1  0  0  0
  5 10  1  0  0  0
  5 17  1  0  0  0
  6  5  2  0  0  0
  7  8  2  0  0  0
  7  6  1  0  0  0
  8  9  1  0  0  0
  9 10  2  0  0  0
  9 25  1  0  0  0
 10 26  1  0  0  0
 11  1  1  0  0  0
 11 27  1  0  0  0
 12 11  2  0  0  0
 12  2  1  0  0  0
 13  3  1  0  0  0
 13 28  1  0  0  0
 14  4  1  0  0  0
 14 12  1  0  0  0
 14 29  1  0  0  0
 14 30  1  0  0  0
 15  2  1  0  0  0
 15 31  1  0  0  0
 15 32  1  0  0  0
 16  6  1  0  0  0
 16 33  1  0  0  0
 16 34  1  0  0  0
 17 19  1  0  0  0
 18  8  1  0  0  0
 20 17  2  0  0  0
 21  7  1  0  0  0
M  CHG  1  17   1
M  CHG  1  19  -1
M  END
$$$$
