Mol:LBG00k-k:18000SC01::R


43 45  0  0  0  0  0  0  0  0999 V2000 
   1.4389    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4486    2.3901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.4486    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2639    0.0801    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2736    3.2151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6236    2.3901    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3952    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0889    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0889   -0.7449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.9139    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0889    0.9051    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8039    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8039    2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0889    2.5551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3739    2.1426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3739    1.3176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3264   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1514   -0.6349    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5639    0.0801    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.1514    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.3264    0.7937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3739   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.3739   -1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0889   -2.3977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8026   -1.9838    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.8026   -1.1574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0986    3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.5111    2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.0986    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.2736    1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.8611    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.0361    1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.6236    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2014    0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.6139   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.4389   -0.3572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8514   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.6764   -1.0717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.0889   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9139   -1.7862    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.3264   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.1514   -2.5006    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.5639   -3.2151    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 2  3  1  0 
 1  4  1  0 
 3  5  1  0 
 2  6  1  0 
 8  4  1  0 
 8  9  1  0 
 8 10  1  0 
 8 11  1  0 
11 12  2  0 
12 13  1  0 
13 14  2  0 
14 15  1  0 
15 16  2  0 
11 16  1  0 
10 17  2  0 
17 18  1  0 
18 19  2  0 
19 20  1  0 
20 21  2  0 
10 21  1  0 
 9 22  2  0 
22 23  1  0 
23 24  2  0 
24 25  1  0 
25 26  2  0 
 9 26  1  0 
 5 27  1  0 
 7 27  1  0 
27 28  1  0 
28 29  1  0 
29 30  1  0 
30 31  1  0 
31 32  1  0 
32 33  1  0 
33 34  1  0 
34 35  1  0 
35 36  1  0 
36 37  1  0 
37 38  1  0 
38 39  1  0 
39 40  1  0 
40 41  1  0 
41 42  1  0 
42 43  1  0 

M STY 1 1 SUP M SLB 1 1 1 M SAL 1 15 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 M SAL 1 2 42 43 M SBL 1 2 28 29 M SMT 1 (CH2)17 M SBV 1 28 -0.8250 0.0000 M SBV 1 29 1.2966 0.0000 S SKP 5 ID LBG00k-k:18000SC01::R:01 FORMULA C40H58O3 EXACTMASS 586.4385957220001 AVERAGEMASS 586.88672 SMILES c(C(c(c3)cccc3)(c(c2)cccc2)OCC(COC(CCCCCCCCCCCCCCCC)C)O)(c1)cccc1 M END