35  Triacetin (All trans)
     1  C      1
     2  C      1     1   1.52657
     3  O      6     2   1.41602     1  109.1194
     4  C      3     3   1.35928     2  116.7346     1 -177.6660     0
     5  C      1     4   1.51509     3  110.1950     2  179.6961     0
     6  C      1     1   1.52692     2  110.8101     3 -177.2918     0
     7  O      6     6   1.41713     1  109.1236     2  175.7865     0
     8  C      3     7   1.35995     6  116.5027     1  179.6249     0
     9  C      1     8   1.51512     7  110.2914     6 -179.8919     0
    10  O      6     1   1.42115     2  109.5082     6  108.3699     1
    11  C      3    10   1.36058     1  118.5235     2  -96.5031     0
    12  C      1    11   1.51525    10  110.0704     1  179.8617     0
    13  O      7     4   1.21015     3  124.8243     5  124.9805     1
    14  O      7     8   1.21025     7  124.8204     9  124.8882    -1
    15  O      7    11   1.21013    10  125.4004    12  124.5287     1
    16  H      5     5   1.11368     4  110.4044     3  -59.9444     0
    17  H      5     5   1.11333     4  110.5674    16  108.1509     1
    18  H      5     5   1.11362     4  110.4045    16  109.0869    -1
    19  H      5     2   1.11457     1  110.0782     3  109.4075     1
    20  H      5     2   1.11495     1  110.0770     3  108.6598    -1
    21  H      5     6   1.11457     1  110.0728     7  109.3620    -1
    22  H      5     6   1.11496     1  110.0307     7  108.7009     1
    23  H      5     9   1.11341     8  110.5578     7  179.8538     0
    24  H      5     9   1.11366     8  110.4171    23  108.1303     1
    25  H      5     9   1.11359     8  110.4186    23  108.1353    -1
    26  H      5    12   1.11362    11  110.4328    10   60.1506     0
    27  H      5    12   1.11366    11  110.3688    26  109.1515     1
    28  H      5    12   1.11341    11  110.5748    26  108.1330    -1
    29  H      5     1   1.11547     2  109.6235     6  107.7390    -1
    30  Lp    20     3   0.59990     2  104.7283     4  101.1409    -1
    31  Lp    20     3   0.59995     2  105.0125     4  101.1840     1
    32  Lp    20     7   0.59963     6  105.2504     8  101.0938     1
    33  Lp    20     7   0.59987     6  105.1350     8  101.3269    -1
    34  Lp    20    10   0.59831     1  104.8104    11  100.5803     1
    35  Lp    20    10   0.59848     1  104.8399    11  101.2298    -1