A1EIU
  CCTOOLS-0619261019

 42 42  0  0  1  0  0  0  0  0999 V2000
   -2.9400    2.9070    0.1160 C   0  0  0  0  0
    6.2410   -0.1410   -1.4670 N   0  0  0  0  0
    5.8690    0.3220   -0.1230 C   0  0  0  0  0
    6.8490   -0.2200    0.8850 C   0  0  0  0  0
    7.5280   -1.1810    0.6110 O   0  0  0  0  0
    4.4620   -0.1740    0.2160 C   0  0  0  0  0
    3.4500    0.4750   -0.7310 C   0  0  0  0  0
    2.0430   -0.0220   -0.3920 C   0  0  0  0  0
    1.0310    0.6270   -1.3390 C   0  0  0  0  0
   -0.3160    0.1520   -1.0140 N   0  0  0  0  0
   -3.9010   -1.6300   -0.0890 C   0  0  0  0  0
   -2.7450   -0.8820   -0.3320 C   0  0  0  0  0
   -2.5590    0.5020   -0.2410 C   0  0  0  0  0
   -3.4770    1.4980    0.1180 C   0  0  0  0  0
   -4.7900    1.3720    0.4700 C   0  0  0  0  0
   -5.5620    0.2010    0.5630 C   0  0  0  0  0
   -5.1460   -1.1790    0.2990 C   0  0  0  0  0
   -1.2040    0.9800   -0.5670 C   0  0  0  0  0
   -6.0960   -2.1290    0.4660 O   0  0  0  0  0
   -6.7270    0.3540    0.9040 O   0  0  0  0  0
   -1.6580   -1.5940   -0.7080 O   0  0  0  0  0
   -2.5090    3.1290   -0.8600 H   0  0  0  0  0
   -3.7510    3.6050    0.3220 H   0  0  0  0  0
   -2.1720    3.0040    0.8830 H   0  0  0  0  0
    6.2330   -1.1490   -1.5170 H   0  0  0  0  0
    5.6370    0.2610   -2.1680 H   0  0  0  0  0
    5.8860    1.4120   -0.0970 H   0  0  0  0  0
    4.4220   -1.2580    0.1030 H   0  0  0  0  0
    4.2200    0.0940    1.2450 H   0  0  0  0  0
    3.4900    1.5580   -0.6180 H   0  0  0  0  0
    3.6920    0.2070   -1.7600 H   0  0  0  0  0
    2.0030   -1.1050   -0.5040 H   0  0  0  0  0
    1.8020    0.2460    0.6370 H   0  0  0  0  0
    1.0710    1.7100   -1.2260 H   0  0  0  0  0
    1.2730    0.3590   -2.3670 H   0  0  0  0  0
   -3.8080   -2.6980   -0.2250 H   0  0  0  0  0
   -5.3030    2.2920    0.7090 H   0  0  0  0  0
   -0.9520    2.0220   -0.4340 H   0  0  0  0  0
   -6.9540   -1.7820    0.7450 H   0  0  0  0  0
   -1.8110   -2.5470   -0.7640 H   0  0  0  0  0
    6.9690    0.3660    2.0870 O   0  0  0  0  0
    7.6110   -0.0170    2.7000 H   0  0  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  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
  4  3  1  0  0  0
  4 41  1  0  0  0
  5  4  2  0  0  0
  6  3  1  0  0  0
  6 28  1  0  0  0
  6 29  1  0  0  0
  7  6  1  0  0  0
  7 30  1  0  0  0
  7 31  1  0  0  0
  8  7  1  0  0  0
  8 32  1  0  0  0
  8 33  1  0  0  0
  9  8  1  0  0  0
  9 34  1  0  0  0
  9 35  1  0  0  0
 10  9  1  0  0  0
 11 12  1  0  0  0
 11 36  1  0  0  0
 12 21  1  0  0  0
 13 12  2  0  0  0
 13 18  1  0  0  0
 14  1  1  0  0  0
 14 13  1  0  0  0
 15 14  2  0  0  0
 15 37  1  0  0  0
 16 15  1  0  0  0
 16 17  1  0  0  0
 17 11  2  0  0  0
 18 10  2  0  0  0
 18 38  1  0  0  0
 19 17  1  0  0  0
 19 39  1  0  0  0
 20 16  2  0  0  0
 21 40  1  0  0  0
 41 42  1  0  0  0
M  END
$$$$
