QJW
  CCTOOLS-0410261002

 32 32  0  0  1  0  0  0  0  0999 V2000
    3.4300    0.8120    1.1050 N   0  0  0  0  0
   -3.9730    0.7270    0.3920 C   0  0  0  0  0
   -2.9090   -0.0210   -0.0760 C   0  0  0  0  0
   -1.6170    0.3160    0.2800 C   0  0  0  0  0
   -0.4580   -0.5000   -0.2300 C   0  0  0  0  0
    1.9330   -0.6610   -0.1550 C   0  0  0  0  0
    3.1120    0.3100   -0.2390 C   0  0  0  0  0
   -1.3880    1.4030    1.1030 C   0  0  0  0  0
    2.7480    1.4670   -1.1330 C   0  0  0  0  0
   -2.4520    2.1510    1.5710 C   0  0  0  0  0
   -3.7440    1.8130    1.2160 C   0  0  0  0  0
    2.2500   -1.7530    0.8340 C   0  0  0  0  0
   -3.1540   -1.1850   -0.9570 N   0  3  0  0  0
    0.7650    0.0430    0.2720 O   0  0  0  0  0
    1.5490   -1.9110    1.8050 O   0  0  0  0  0
    3.3130   -2.5490    0.6370 O   0  0  0  0  0
    2.4000    2.5180   -0.6500 O   0  0  0  0  0
    2.8100    1.3290   -2.4670 O   0  0  0  0  0
   -4.2930   -1.4830   -1.2700 O   0  0  0  0  0
   -2.2170   -1.8440   -1.3700 O   0  5  0  0  0
    2.6410    1.2950    1.5070 H   0  0  0  0  0
    3.7400    0.0630    1.7070 H   0  0  0  0  0
   -4.9830    0.4660    0.1110 H   0  0  0  0  0
   -0.5630   -1.5310    0.1070 H   0  0  0  0  0
   -0.4460   -0.4740   -1.3200 H   0  0  0  0  0
    1.7540   -1.1010   -1.1360 H   0  0  0  0  0
    3.9800   -0.2060   -0.6480 H   0  0  0  0  0
   -0.3790    1.6670    1.3800 H   0  0  0  0  0
   -2.2730    3.0000    2.2140 H   0  0  0  0  0
   -4.5760    2.3980    1.5820 H   0  0  0  0  0
    3.4760   -3.2350    1.2990 H   0  0  0  0  0
    2.5660    2.0990   -3.0000 H   0  0  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2 11  2  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  4  8  1  0  0  0
  4  5  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 14  1  0  0  0
  6 12  1  0  0  0
  6 26  1  0  0  0
  7  6  1  0  0  0
  7  1  1  0  0  0
  7 27  1  0  0  0
  8 28  1  0  0  0
  9  7  1  0  0  0
 10  8  2  0  0  0
 10 29  1  0  0  0
 11 10  1  0  0  0
 11 30  1  0  0  0
 12 16  1  0  0  0
 13  3  1  0  0  0
 13 19  2  0  0  0
 14  5  1  0  0  0
 15 12  2  0  0  0
 16 31  1  0  0  0
 17  9  2  0  0  0
 18  9  1  0  0  0
 18 32  1  0  0  0
 20 13  1  0  0  0
M  CHG  1  13   1
M  CHG  1  20  -1
M  END
$$$$
