A1JTA
  CCTOOLS-0710261011

 31 33  0  0  1  0  0  0  0  0999 V2000
    3.4830   -0.8940   -0.9260 N   0  0  0  0  0
   -0.8860    1.1120   -0.1520 C   0  0  0  0  0
   -1.5470   -0.0480    0.0080 C   0  0  0  0  0
   -0.8970   -1.3920    0.1970 C   0  0  0  0  0
    0.5720   -1.1690    0.5780 C   0  0  0  0  0
    1.2060   -0.1770   -0.4020 C   0  0  0  0  0
    3.2240    0.6860    0.7910 C   0  0  0  0  0
    4.7920   -0.8940   -0.7720 C   0  0  0  0  0
   -5.3680   -0.1930    0.0220 O   0  0  0  0  0
   -4.1040   -0.6550    0.0880 C   0  0  0  0  0
   -3.8990   -1.8420    0.2540 O   0  0  0  0  0
   -2.9720    0.2760   -0.0390 C   0  0  0  0  0
   -3.0280    1.6300   -0.2270 C   0  0  0  0  0
   -1.7770    2.1010   -0.2910 O   0  0  0  0  0
    2.6970   -0.1390   -0.1840 C   0  0  0  0  0
    4.5970    0.7130    0.9830 C   0  0  0  0  0
    5.3910   -0.0940    0.1840 C   0  0  0  0  0
    0.6210    1.2200   -0.1720 C   0  0  0  0  0
   -1.4040   -1.9370    0.9930 H   0  0  0  0  0
   -0.9540   -1.9610   -0.7310 H   0  0  0  0  0
    0.6290   -0.7670    1.5900 H   0  0  0  0  0
    1.1080   -2.1170    0.5330 H   0  0  0  0  0
    0.9960   -0.4920   -1.4240 H   0  0  0  0  0
    2.5740    1.3020    1.3960 H   0  0  0  0  0
    5.4040   -1.5260   -1.3980 H   0  0  0  0  0
   -6.0790   -0.8420    0.1110 H   0  0  0  0  0
   -3.9300    2.2190   -0.3110 H   0  0  0  0  0
    5.0370    1.3490    1.7380 H   0  0  0  0  0
    6.4640   -0.0980    0.3060 H   0  0  0  0  0
    0.9330    1.8850   -0.9780 H   0  0  0  0  0
    0.9690    1.6100    0.7850 H   0  0  0  0  0
  1 15  1  0  0  0
  2 14  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 12  1  0  0  0
  4 19  1  0  0  0
  4 20  1  0  0  0
  5  4  1  0  0  0
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  5 22  1  0  0  0
  6  5  1  0  0  0
  6 23  1  0  0  0
  7 15  2  0  0  0
  7 24  1  0  0  0
  8  1  2  0  0  0
  8 25  1  0  0  0
  9 26  1  0  0  0
 10 11  2  0  0  0
 10  9  1  0  0  0
 12 10  1  0  0  0
 13 12  2  0  0  0
 13 27  1  0  0  0
 14 13  1  0  0  0
 15  6  1  0  0  0
 16  7  1  0  0  0
 16 28  1  0  0  0
 17 16  2  0  0  0
 17  8  1  0  0  0
 17 29  1  0  0  0
 18  6  1  0  0  0
 18  2  1  0  0  0
 18 30  1  0  0  0
 18 31  1  0  0  0
M  END
$$$$
