LKE
  CCTOOLS-1004241128

 34 35  0  0  0  0  0  0  0  0999 V2000
    2.4910    2.3630   -0.3060 C   0  0  0  0  0
    1.3500    3.2610   -0.0860 N   0  0  0  0  0
    2.0060    0.9370   -0.3480 C   0  0  0  0  0
    0.7630    0.5800   -0.2090 N   0  0  0  0  0
    2.8130   -0.1450   -0.5430 N   0  0  0  0  0
    4.2650   -0.1090   -0.7400 C   0  0  0  0  0
    4.9550   -0.2050    0.5960 C   0  0  0  0  0
    4.3020   -0.2950    1.6090 O   0  0  0  0  0
    2.0430   -1.2560   -0.5220 C   0  0  0  0  0
    2.4060   -2.4090   -0.6610 O   0  0  0  0  0
    0.6660   -0.7670   -0.2980 C   0  0  0  0  0
   -0.4880   -1.5320   -0.2020 C   0  0  0  0  0
   -1.7470   -0.9020   -0.1270 C   0  0  0  0  0
   -1.8360    0.4890   -0.3390 C   0  0  0  0  0
   -3.0310    1.1230   -0.2730 C   0  0  0  0  0
   -4.2400    0.3460    0.0210 C   0  0  0  0  0
   -4.1130   -1.1000    0.2360 C   0  0  0  0  0
   -2.8910   -1.6770    0.1520 C   0  0  0  0  0
   -5.4180    0.9360    0.0910 N   0  0  0  0  0
   -6.3380    0.3290    0.3170 N   0  3  0  0  0
   -7.2570   -0.2770    0.5440 N   0  5  0  0  0
    6.2960   -0.1920    0.6610 O   0  0  0  0  0
    2.9720    2.6110   -1.2520 H   0  0  0  0  0
    3.2070    2.4790    0.5080 H   0  0  0  0  0
    0.8480    3.0100    0.7530 H   0  0  0  0  0
    1.6490    4.2250   -0.0530 H   0  0  0  0  0
    4.5670   -0.9480   -1.3660 H   0  0  0  0  0
    4.5420    0.8260   -1.2260 H   0  0  0  0  0
   -0.4210   -2.6100   -0.1850 H   0  0  0  0  0
   -0.9420    1.0550   -0.5550 H   0  0  0  0  0
   -3.0930    2.1890   -0.4360 H   0  0  0  0  0
   -4.9860   -1.6990    0.4500 H   0  0  0  0  0
   -2.7900   -2.7410    0.3090 H   0  0  0  0  0
    6.6930   -0.2560    1.5410 H   0  0  0  0  0
  1  3  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  1  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3  5  1  0  0  0
  4 11  1  0  0  0
  5  6  1  0  0  0
  5  9  1  0  0  0
  6  7  1  0  0  0
  6 27  1  0  0  0
  6 28  1  0  0  0
  7 22  1  0  0  0
  8  7  2  0  0  0
  9 10  2  0  0  0
 11  9  1  0  0  0
 11 12  2  0  0  0
 12 29  1  0  0  0
 13 12  1  0  0  0
 13 14  2  0  0  0
 14 30  1  0  0  0
 15 14  1  0  0  0
 15 31  1  0  0  0
 16 15  2  0  0  0
 17 18  2  0  0  0
 17 16  1  0  0  0
 17 32  1  0  0  0
 18 13  1  0  0  0
 18 33  1  0  0  0
 19 16  1  0  0  0
 20 19  2  0  0  0
 21 20  2  0  0  0
 22 34  1  0  0  0
M  CHG  1  20   1
M  CHG  1  21  -1
M  END
$$$$