C26H54O
APtclcactv01312403543D 0   0.00000     0.00000
 
 81 80  0  0  0  0  0  0  0  0999 V2000
   16.3201   -0.4165   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0704    0.4660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8217   -0.4181   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5719    0.4645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3232   -0.4196   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0734    0.4629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8247   -0.4212   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5749    0.4614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3262   -0.4228   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0764    0.4598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8278   -0.4243   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5780    0.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3293   -0.4259   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0795    0.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1692   -0.4274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4190    0.4551   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6677   -0.4290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9175    0.4536   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1662   -0.4305    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4160    0.4520   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6646   -0.4321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9144    0.4505   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1631   -0.4337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4129    0.4489   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6616   -0.4352    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9114    0.4474   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0776   -0.3784    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2097    0.2133    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3205   -1.0458    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3205   -1.0458   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0700    1.0954    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0700    1.0954   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8221   -1.0474   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8221   -1.0474    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5715    1.0938    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5715    1.0938   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3236   -1.0490   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3236   -1.0490    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    1.0922    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0730    1.0922   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8251   -1.0505   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8251   -1.0505    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5745    1.0907    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5745    1.0907   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266   -1.0521   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3266   -1.0521    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    1.0891    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    1.0891   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8281   -1.0536   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8281   -1.0536    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    1.0876    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5776    1.0876   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297   -1.0552   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3297   -1.0552    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    1.0860    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0791    1.0860   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688   -1.0567   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1688   -1.0567    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194    1.0845    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4194    1.0845   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6673   -1.0583   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6673   -1.0583    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179    1.0829    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9179    1.0829   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1658   -1.0598   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1658   -1.0598    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4163    1.0813    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4163    1.0813   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6642   -1.0614   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6642   -1.0614    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9148    1.0798    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9148    1.0798   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1627   -1.0630   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.1627   -1.0630    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4133    1.0782    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.4133    1.0782   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6612   -1.0645   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6612   -1.0645    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9118    1.0767    0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.9118    1.0767   -0.8900 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.8407    0.2156   -0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 15 16  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 22 23  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
  1 28  1  0  0  0  0
  1 29  1  0  0  0  0
  1 30  1  0  0  0  0
  2 31  1  0  0  0  0
  2 32  1  0  0  0  0
  3 33  1  0  0  0  0
  3 34  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5 37  1  0  0  0  0
  5 38  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 41  1  0  0  0  0
  7 42  1  0  0  0  0
  8 43  1  0  0  0  0
  8 44  1  0  0  0  0
  9 45  1  0  0  0  0
  9 46  1  0  0  0  0
 10 47  1  0  0  0  0
 10 48  1  0  0  0  0
 11 49  1  0  0  0  0
 11 50  1  0  0  0  0
 12 51  1  0  0  0  0
 12 52  1  0  0  0  0
 13 53  1  0  0  0  0
 13 54  1  0  0  0  0
 14 55  1  0  0  0  0
 14 56  1  0  0  0  0
 15 57  1  0  0  0  0
 15 58  1  0  0  0  0
 16 59  1  0  0  0  0
 16 60  1  0  0  0  0
 17 61  1  0  0  0  0
 17 62  1  0  0  0  0
 18 63  1  0  0  0  0
 18 64  1  0  0  0  0
 19 65  1  0  0  0  0
 19 66  1  0  0  0  0
 20 67  1  0  0  0  0
 20 68  1  0  0  0  0
 21 69  1  0  0  0  0
 21 70  1  0  0  0  0
 22 71  1  0  0  0  0
 22 72  1  0  0  0  0
 23 73  1  0  0  0  0
 23 74  1  0  0  0  0
 24 75  1  0  0  0  0
 24 76  1  0  0  0  0
 25 77  1  0  0  0  0
 25 78  1  0  0  0  0
 26 79  1  0  0  0  0
 26 80  1  0  0  0  0
 27 81  1  0  0  0  0
M  END
> <UNIQUE_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCO

> <USER_SUPPLIED_SMILES>
CCCCCCCCCCCCCCCCCCCCCCCCCCO

$$$$
