A1EQG
  CCTOOLS-0522260957

 40 41  0  0  1  0  0  0  0  0999 V2000
    3.2470   -2.1790   -0.1490 C   0  0  0  0  0
    1.9820   -1.5100    0.3240 C   0  0  0  0  0
    0.7800   -2.1200   -0.4010 C   0  0  0  0  0
   -0.4850   -1.4510    0.0720 C   0  0  0  0  0
   -0.9210   -1.6020    1.4810 C   0  0  0  0  0
   -3.6010   -0.5920   -0.8530 C   0  0  0  0  0
   -2.3470   -0.0070   -0.2570 C   0  0  0  0  0
   -2.2220    1.4610   -0.6710 C   0  0  0  0  0
   -4.7980   -0.0650   -0.5480 O   0  0  0  0  0
   -1.0350    2.0790    0.0230 C   0  0  0  0  0
   -1.0540    2.7690    1.1740 C   0  0  0  0  0
    3.0940    2.3070   -0.7200 C   0  0  0  0  0
    2.4760    2.8720    0.3750 C   0  0  0  0  0
    1.1000    2.7430    0.5350 C   0  0  0  0  0
    0.3580    2.0350   -0.4280 C   0  0  0  0  0
   -1.1830   -0.7520   -0.7430 N   0  0  0  0  0
    1.0040    1.4720   -1.5300 C   0  0  0  0  0
    2.3570    1.6100   -1.6670 C   0  0  0  0  0
    0.2140    3.1710    1.4970 N   0  0  0  0  0
   -3.5300   -1.5340   -1.6060 O   0  0  0  0  0
    4.4320   -1.8060    0.3570 O   0  0  0  0  0
    3.1920   -3.0540   -0.9810 O   0  0  0  0  0
   -0.4750   -0.8650    2.3360 O   0  0  0  0  0
   -1.8110   -2.5560    1.8110 O   0  0  0  0  0
    1.8720   -1.6580    1.3980 H   0  0  0  0  0
    2.0330   -0.4420    0.1080 H   0  0  0  0  0
    0.8900   -1.9710   -1.4750 H   0  0  0  0  0
    0.7290   -3.1870   -0.1850 H   0  0  0  0  0
   -2.3950   -0.0750    0.8290 H   0  0  0  0  0
   -2.0850    1.5230   -1.7510 H   0  0  0  0  0
   -3.1280    1.9970   -0.3880 H   0  0  0  0  0
   -5.5740   -0.4740   -0.9540 H   0  0  0  0  0
   -1.9380    2.9770    1.7580 H   0  0  0  0  0
    4.1620    2.4090   -0.8420 H   0  0  0  0  0
    3.0580    3.4120    1.1070 H   0  0  0  0  0
    0.4370    0.9280   -2.2710 H   0  0  0  0  0
    2.8560    1.1750   -2.5200 H   0  0  0  0  0
    0.4510    3.6840    2.2850 H   0  0  0  0  0
    5.2150   -2.2670    0.0250 H   0  0  0  0  0
   -2.0660   -2.6160    2.7420 H   0  0  0  0  0
  1 22  2  0  0  0
  1 21  1  0  0  0
  2  1  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  2  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4  5  1  0  0  0
  4  3  1  0  0  0
  5 24  1  0  0  0
  7  6  1  0  0  0
  7 16  1  0  0  0
  7 29  1  0  0  0
  8  7  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9  6  1  0  0  0
  9 32  1  0  0  0
 10 15  1  0  0  0
 10  8  1  0  0  0
 11 10  2  0  0  0
 11 33  1  0  0  0
 12 18  2  0  0  0
 12 34  1  0  0  0
 13 12  1  0  0  0
 13 35  1  0  0  0
 14 13  2  0  0  0
 14 15  1  0  0  0
 15 17  2  0  0  0
 16  4  2  0  0  0
 17 36  1  0  0  0
 18 17  1  0  0  0
 18 37  1  0  0  0
 19 11  1  0  0  0
 19 14  1  0  0  0
 19 38  1  0  0  0
 20  6  2  0  0  0
 21 39  1  0  0  0
 23  5  2  0  0  0
 24 40  1  0  0  0
M  END
$$$$
