A1DO3
  CCTOOLS-0731261037

 29 29  0  0  1  0  0  0  0  0999 V2000
    6.5030    0.6660   -0.3980 C   0  0  0  0  0
    5.0260    1.0330   -0.2480 C   0  0  0  0  0
    4.8420    1.7870    0.9520 O   0  0  0  0  0
    4.1870   -0.2450   -0.1810 C   0  0  0  0  0
    2.7650    0.1050   -0.1570 N   0  0  0  0  0
    1.8320   -0.8670   -0.0980 C   0  0  0  0  0
    2.1720   -2.0330   -0.0650 O   0  0  0  0  0
    0.3980   -0.5140   -0.0750 C   0  0  0  0  0
   -0.0010    0.8140   -0.2430 C   0  0  0  0  0
   -1.3410    1.1370   -0.2190 C   0  0  0  0  0
   -2.2910    0.1480   -0.0300 C   0  0  0  0  0
   -4.1270    0.6000    0.0010 BR  0  0  0  0  0
   -1.9030   -1.1710    0.1370 C   0  0  0  0  0
   -0.5660   -1.5070    0.1100 C   0  0  0  0  0
   -0.1450   -2.9430    0.2920 C   0  0  0  0  0
    6.6440    0.0910   -1.3130 H   0  0  0  0  0
    7.1010    1.5760   -0.4460 H   0  0  0  0  0
    6.8180    0.0690    0.4580 H   0  0  0  0  0
    4.7110    1.6300   -1.1040 H   0  0  0  0  0
    5.1020    1.3170    1.7560 H   0  0  0  0  0
    4.3950   -0.8620   -1.0550 H   0  0  0  0  0
    4.4400   -0.7990    0.7240 H   0  0  0  0  0
    2.4940    1.0360   -0.1840 H   0  0  0  0  0
    0.7400    1.5860   -0.3900 H   0  0  0  0  0
   -1.6500    2.1640   -0.3490 H   0  0  0  0  0
   -2.6490   -1.9380    0.2840 H   0  0  0  0  0
    0.0190   -3.4000   -0.6840 H   0  0  0  0  0
    0.7790   -2.9800    0.8700 H   0  0  0  0  0
   -0.9270   -3.4870    0.8210 H   0  0  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  4  1  0  0  0
  2  1  1  0  0  0
  2 19  1  0  0  0
  3  2  1  0  0  0
  3 20  1  0  0  0
  4 21  1  0  0  0
  4 22  1  0  0  0
  5  4  1  0  0  0
  5 23  1  0  0  0
  6  8  1  0  0  0
  6  5  1  0  0  0
  7  6  2  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 25  1  0  0  0
 11 12  1  0  0  0
 11 10  2  0  0  0
 13 11  1  0  0  0
 13 26  1  0  0  0
 14 13  2  0  0  0
 14  8  1  0  0  0
 15 14  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 15 29  1  0  0  0
M  END
$$$$
