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. 2014 Jul 23;9(7):e101892. doi: 10.1371/journal.pone.0101892

Table 3. Bond lengths (Å) and angles (°) for HEA-pABA.

N(1)-C(1) 1.481(3)
O(1)-C(2) 1.409(3)
C(1)-C(2) 1.495(4)
N(2)-C(6) 1.404(3)
O(2)-C(9) 1.257(3)
O(3)-C(9) 1.281(3)
C(3)-C(4) 1.384(3)
C(3)-C(8) 1.391(3)
C(3)-C(9) 1.492(3)
C(4)-C(5) 1.377(3)
C(5)-C(6) 1.387(4)
C(6)-C(7) 1.389(4)
C(7)-C(8) 1.379(3)
N(1)-C(1)-C(2) 112.1(3)
O(1)-C(2)-C(1) 113.9(3)
C(4)-C(3)-C(8) 117.8(2)
C(4)-C(3)-C(9) 121.8(2)
C(8)-C(3)-C(9) 120.3(3)
C(5)-C(4)-C(3) 121.4(3)
C(4)-C(5)-C(6) 120.7(3)
C(5)-C(6)-C(7) 118.3(2)
C(5)-C(6)-N(2) 121.5(3)
C(7)-C(6)-N(2) 120.1(3)
C(8)-C(7)-C(6) 120.7(3)
C(7)-C(8)-C(3) 121.1(3)
O(2)-C(9)-O(3) 122.9(3)
O(2)-C(9)-C(3) 118.6(3)
O(3)-C(9)-C(3) 118.5(3)