HEG
  CCTOOLS-0807261402

 75 82  0  0  1  0  0  0  0  0999 V2000
   -0.6340   -0.3820   -0.2850 MG  0  2  0  0  0
    2.4320    0.9860    0.3450 C   0  0  0  0  0
    0.8370   -3.4230   -0.7680 C   0  0  0  0  0
   -3.7060   -1.7620   -0.8320 C   0  0  0  0  0
   -2.0780    2.6870    0.1600 C   0  0  0  0  0
    1.3380   -1.1110   -0.2180 N   0  0  0  0  0
    2.4530   -0.3860    0.0500 C   0  0  0  0  0
    3.5580   -1.2140   -0.0260 C   0  0  0  0  0
    3.1030   -2.4660   -0.3350 C   0  0  0  0  0
    1.7350   -2.3880   -0.4570 C   0  0  0  0  0
    3.9640   -3.6900   -0.5170 C   0  0  0  0  0
    4.9940   -0.8130    0.2030 C   0  0  0  0  0
    5.4430   -0.8980    1.6590 C   0  0  0  0  0
    6.8810   -0.4500    1.9060 C   0  0  0  0  0
    7.0980    0.7710    2.0470 O   0  0  0  0  0
    7.7680   -1.3290    1.9540 O   0  5  0  0  0
   -1.3270   -2.3180   -0.7360 N   0  5  0  0  0
   -0.5650   -3.4310   -0.8750 C   0  0  0  0  0
   -1.3870   -4.5290   -1.1220 C   0  0  0  0  0
   -2.7290   -4.0810   -1.1220 C   0  0  0  0  0
   -2.6530   -2.7040   -0.9060 C   0  0  0  0  0
   -0.9580   -5.9590   -1.3200 C   0  0  0  0  0
   -3.8930   -4.9770   -1.3820 C   0  0  0  0  0
   -5.1870   -4.8490   -1.2040 C   0  0  0  0  0
   -2.6070    0.3490   -0.3330 N   0  0  0  0  0
   -3.7250   -0.3860   -0.5470 C   0  0  0  0  0
   -4.8470    0.4330   -0.4320 C   0  0  0  0  0
   -4.4080    1.7400   -0.1170 C   0  0  0  0  0
   -3.0140    1.6580   -0.0940 C   0  0  0  0  0
   -6.2890    0.0230   -0.5720 C   0  0  0  0  0
   -5.3300    2.9000    0.0560 C   0  0  0  0  0
   -5.1850    4.1000    0.5690 C   0  0  0  0  0
    0.0670    1.5460    0.1810 N   0  5  0  0  0
   -0.6830    2.6710    0.3270 C   0  0  0  0  0
    0.1420    3.7170    0.6720 C   0  0  0  0  0
    1.4190    3.2380    0.7250 C   0  0  0  0  0
    1.3610    1.8910    0.4150 C   0  0  0  0  0
   -0.2500    5.1490    0.9350 C   0  0  0  0  0
    2.6600    4.0320    1.0490 C   0  0  0  0  0
    3.3590    4.6210   -0.1730 C   0  0  0  0  0
    4.5100    5.5700    0.1500 C   0  0  0  0  0
    5.6700    5.1070    0.1450 O   0  0  0  0  0
    4.2330    6.7620    0.4030 O   0  5  0  0  0
    3.2800    1.3630    0.5290 H   0  0  0  0  0
    1.2480   -4.2510   -0.9660 H   0  0  0  0  0
   -4.5450   -2.1230   -1.0680 H   0  0  0  0  0
   -2.4630    3.5490    0.1580 H   0  0  0  0  0
    3.4460   -4.4920   -0.3490 H   0  0  0  0  0
    4.7080   -3.6700    0.1060 H   0  0  0  0  0
    4.3070   -3.7140   -1.4250 H   0  0  0  0  0
    5.1300    0.1070   -0.1130 H   0  0  0  0  0
    5.5870   -1.3760   -0.3420 H   0  0  0  0  0
    5.3480   -1.8290    1.9660 H   0  0  0  0  0
    4.8430   -0.3420    2.2080 H   0  0  0  0  0
   -7.5430   -2.0940    0.6770 H   0  0  0  0  0
   -1.5970   -6.5570   -0.8990 H   0  0  0  0  0
   -0.0870   -6.1070   -0.9200 H   0  0  0  0  0
   -0.9130   -6.1550   -2.2700 H   0  0  0  0  0
   -3.6840   -5.8050   -1.7860 H   0  0  0  0  0
   -5.7690   -5.5350   -1.4880 H   0  0  0  0  0
   -5.5350   -4.0940   -0.7610 H   0  0  0  0  0
   -6.8360    0.5090    0.0660 H   0  0  0  0  0
   -6.3870   -0.9270   -0.4000 H   0  0  0  0  0
   -6.5970    0.2190   -1.4720 H   0  0  0  0  0
   -6.1990    2.7810   -0.2940 H   0  0  0  0  0
   -5.9000    4.7130    0.5360 H   0  0  0  0  0
   -4.3830    4.3390    1.0020 H   0  0  0  0  0
    0.1580    5.4560    1.7600 H   0  0  0  0  0
   -1.2130    5.2280    1.0180 H   0  0  0  0  0
    0.0530    5.7080    0.2010 H   0  0  0  0  0
    3.2980    3.4590    1.5270 H   0  0  0  0  0
    2.4370    4.7620    1.6670 H   0  0  0  0  0
    2.6950    5.1080   -0.7140 H   0  0  0  0  0
    3.7070    3.8840   -0.7250 H   0  0  0  0  0
   -7.3060    2.3680   -0.8460 H   0  0  0  0  0
  1  6  1  0  0  0
  1 17  1  0  0  0
  1 25  1  0  0  0
  1 33  1  0  0  0
  2  7  2  0  0  0
  2 37  1  0  0  0
  2 44  1  0  0  0
  3 10  1  0  0  0
  3 18  2  0  0  0
  3 45  1  0  0  0
  4 21  2  0  0  0
  4 26  1  0  0  0
  4 46  1  0  0  0
  5 29  2  0  0  0
  5 34  1  0  0  0
  5 47  1  0  0  0
  6  7  1  0  0  0
  6 10  2  0  0  0
  7  8  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 11  1  0  0  0
 11 48  1  0  0  0
 11 49  1  0  0  0
 11 50  1  0  0  0
 12 13  1  0  0  0
 12 51  1  0  0  0
 12 52  1  0  0  0
 13 14  1  0  0  0
 13 53  1  0  0  0
 13 54  1  0  0  0
 14 15  2  0  0  0
 14 16  1  0  0  0
 16 55  1  0  0  0
 17 18  1  0  0  0
 17 21  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 22  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 22 56  1  0  0  0
 22 57  1  0  0  0
 22 58  1  0  0  0
 23 24  2  0  0  0
 23 59  1  0  0  0
 24 60  1  0  0  0
 24 61  1  0  0  0
 25 26  2  0  0  0
 25 29  1  0  0  0
 26 27  1  0  0  0
 27 28  2  0  0  0
 27 30  1  0  0  0
 28 29  1  0  0  0
 28 31  1  0  0  0
 30 62  1  0  0  0
 30 63  1  0  0  0
 30 64  1  0  0  0
 31 32  2  0  0  0
 31 65  1  0  0  0
 32 66  1  0  0  0
 32 67  1  0  0  0
 33 34  1  0  0  0
 33 37  1  0  0  0
 34 35  2  0  0  0
 35 36  1  0  0  0
 35 38  1  0  0  0
 36 37  2  0  0  0
 36 39  1  0  0  0
 38 68  1  0  0  0
 38 69  1  0  0  0
 38 70  1  0  0  0
 39 40  1  0  0  0
 39 71  1  0  0  0
 39 72  1  0  0  0
 40 41  1  0  0  0
 40 73  1  0  0  0
 40 74  1  0  0  0
 41 42  2  0  0  0
 41 43  1  0  0  0
 43 75  1  0  0  0
M  CHG  1   1   2
M  CHG  1  16  -1
M  CHG  1  17  -1
M  CHG  1  33  -1
M  CHG  1  43  -1
M  END
$$$$
