2KP
  CCTOOLS-1004241125

 36 36  0  0  1  0  0  0  0  0999 V2000
   -6.9180    0.9660    1.0930 N   0  0  0  0  0
   -6.6840    0.1230   -0.0870 C   0  0  0  0  0
   -7.6940   -0.9960   -0.1130 C   0  0  0  0  0
   -8.2750   -1.3090    0.8990 O   0  0  0  0  0
   -5.2730   -0.4650   -0.0220 C   0  0  0  0  0
   -4.2450    0.6640   -0.1210 C   0  0  0  0  0
   -2.8340    0.0760   -0.0560 C   0  0  0  0  0
   -1.8060    1.2050   -0.1550 C   0  0  0  0  0
   -0.4550    0.6420   -0.0930 N   0  0  0  0  0
    0.6180    1.4550   -0.1620 C   0  0  0  0  0
    0.4640    2.6550   -0.2750 O   0  0  0  0  0
    1.9810    0.8870   -0.1000 C   0  0  0  0  0
    3.0940    1.7260   -0.1710 C   0  0  0  0  0
    4.3630    1.1900   -0.1120 C   0  0  0  0  0
    4.5350   -0.1780    0.0180 C   0  0  0  0  0
    6.2790   -0.9040    0.0970 BR  0  0  0  0  0
    3.4350   -1.0150    0.0890 C   0  0  0  0  0
    2.1600   -0.4910    0.0360 C   0  0  0  0  0
   -7.9470   -1.6440   -1.2610 O   0  0  0  0  0
   -7.8190    1.4170    1.0430 H   0  0  0  0  0
   -6.8290    0.4300    1.9440 H   0  0  0  0  0
   -6.7860    0.7250   -0.9890 H   0  0  0  0  0
   -5.1420   -0.9940    0.9220 H   0  0  0  0  0
   -5.1300   -1.1600   -0.8500 H   0  0  0  0  0
   -4.3750    1.1920   -1.0650 H   0  0  0  0  0
   -4.3870    1.3580    0.7070 H   0  0  0  0  0
   -2.7040   -0.4530    0.8880 H   0  0  0  0  0
   -2.6910   -0.6190   -0.8840 H   0  0  0  0  0
   -1.9360    1.7330   -1.0990 H   0  0  0  0  0
   -1.9490    1.8990    0.6730 H   0  0  0  0  0
   -0.3320   -0.3160   -0.0030 H   0  0  0  0  0
    2.9610    2.7930   -0.2720 H   0  0  0  0  0
    5.2250    1.8390   -0.1660 H   0  0  0  0  0
    3.5750   -2.0820    0.1900 H   0  0  0  0  0
    1.3030   -1.1450    0.0960 H   0  0  0  0  0
   -8.6030   -2.3540   -1.2290 H   0  0  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  1  1  0  0  0
  2  3  1  0  0  0
  2  5  1  0  0  0
  2 22  1  0  0  0
  3  4  2  0  0  0
  3 19  1  0  0  0
  5 23  1  0  0  0
  5 24  1  0  0  0
  6  5  1  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  6 26  1  0  0  0
  7  8  1  0  0  0
  7 27  1  0  0  0
  7 28  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 12  1  0  0  0
 12 13  1  0  0  0
 13 14  2  0  0  0
 13 32  1  0  0  0
 14 33  1  0  0  0
 15 14  1  0  0  0
 15 16  1  0  0  0
 17 15  2  0  0  0
 17 34  1  0  0  0
 18 12  2  0  0  0
 18 17  1  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
M  END
$$$$