Mol:LBGDGcc-:18206SC05:18206SC05 2


46 45  0  0  0  0  0  0  0  0999 V2000 
  -6.9873    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1623    1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9873    0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9873   -0.0544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9873   -0.7706    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.9873   -1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1986    0.0036    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4117   -0.3580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.6976    0.0546    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4117   -1.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4480    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.7339    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -4.0198    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.3055    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5914    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8772    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -5.4480    0.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -6.1623   -1.5956    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.9471   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -3.2328   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -2.5187   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.8045   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -1.0522    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.3380    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.3762    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2012    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9153    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.6296    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.3437    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.0578    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.7721    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.4862    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.2005    1.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.9146    1.5956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.9795   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
  -0.2653   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   0.4489   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.2739   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   1.9880   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   2.7023   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   3.4164   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.1305   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   4.8448   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   5.5589   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.2732   -0.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
   6.9873   -0.0691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0 
 1  2  1  0 
 1  3  1  0 
 3  4  1  0 
 4  5  1  0 
 5  6  1  0 
 8  9  1  0 
 8 10  2  0 
 2 11  1  0 
11 12  1  0 
12 13  1  0 
13 14  1  0 
14 15  1  0 
15 16  1  0 
11 17  2  0 
 6 18  1  0 
 7  8  1  0 
19 20  1  0 
20 21  1  0 
21 22  1  0 
 9 19  1  0 
16 23  2  0 
23 24  1  0 
24 25  1  0 
25 26  2  0 
26 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 
22 35  2  0 
35 36  1  0 
36 37  1  0 
37 38  2  0 
38 39  1  0 
39 40  1  0 
40 41  1  0 
41 42  1  0 
42 43  1  0 
43 44  1  0 
44 45  1  0 
45 46  1  0 
 4  7  1  0 

S SKP 5 ID LBGDGcc-:18206SC05:18206SC05::02 FORMULA C41H72O5 EXACTMASS 644.5379754139999 AVERAGEMASS 645.0073799999999 SMILES C(CC=CCCCCCCCC)=CCCCCC(=O)OCCC(OC(=O)CCCCC=CCC=CCCCCCCCC)CCO M END