A1DOH
  CCTOOLS-0731261037

 28 29  0  0  0  0  0  0  0  0999 V2000
    0.6420   -3.1580    0.6960 C   0  0  0  0  0
    1.6610   -2.1080    0.3350 C   0  0  0  0  0
    2.9570   -2.4770    0.0320 C   0  0  0  0  0
    3.8930   -1.5150   -0.2990 C   0  0  0  0  0
    3.5350   -0.1790   -0.3270 C   0  0  0  0  0
    2.2400    0.1970   -0.0250 C   0  0  0  0  0
    1.7520    2.0240   -0.0640 BR  0  0  0  0  0
    1.2960   -0.7690    0.3020 C   0  0  0  0  0
   -0.0170   -0.3920    0.6030 N   0  0  0  0  0
   -1.0240   -0.7430   -0.2210 C   0  0  0  0  0
   -0.8070   -1.4670   -1.1730 O   0  0  0  0  0
   -2.3910   -0.2500    0.0330 C   0  0  0  0  0
   -3.4940   -0.5300   -0.7220 C   0  0  0  0  0
   -4.5320    0.1130   -0.1500 N   0  0  0  0  0
   -5.9230    0.1080   -0.6090 C   0  0  0  0  0
   -4.0240    0.7880    0.9690 N   0  0  0  0  0
   -2.7620    0.5480    1.0500 N   0  0  0  0  0
    0.2210   -3.5840   -0.2150 H   0  0  0  0  0
    1.1230   -3.9460    1.2770 H   0  0  0  0  0
   -0.1540   -2.7050    1.2870 H   0  0  0  0  0
    3.2400   -3.5190    0.0530 H   0  0  0  0  0
    4.9060   -1.8060   -0.5350 H   0  0  0  0  0
    4.2680    0.5710   -0.5860 H   0  0  0  0  0
   -0.2030    0.1210    1.4050 H   0  0  0  0  0
   -3.5290   -1.1480   -1.6070 H   0  0  0  0  0
   -6.4580   -0.7180   -0.1400 H   0  0  0  0  0
   -6.3990    1.0500   -0.3380 H   0  0  0  0  0
   -5.9480   -0.0120   -1.6930 H   0  0  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  2  1  1  0  0  0
  2  8  2  0  0  0
  3  2  1  0  0  0
  3 21  1  0  0  0
  4  3  2  0  0  0
  4  5  1  0  0  0
  4 22  1  0  0  0
  5  6  2  0  0  0
  5 23  1  0  0  0
  6  8  1  0  0  0
  6  7  1  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 24  1  0  0  0
 10 12  1  0  0  0
 11 10  2  0  0  0
 12 13  2  0  0  0
 13 14  1  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 15 26  1  0  0  0
 15 27  1  0  0  0
 15 28  1  0  0  0
 16 14  1  0  0  0
 17 12  1  0  0  0
 17 16  2  0  0  0
M  END
$$$$
