C,1,16.62,s,
C,2,54.9,s,
N,3,,,
C,4,46.4,s,
C,5,68.5,s,
O,6,,,
C,7,76.75,s,
O,8,,,
C,9,75.26,s,
O,10,,,
H,11,1.0,d,6.3
H,12,1.0,d,6.3
H,13,1.0,d,6.3
H,14,3.23,qd,"6.3,1.2"
H,15,,,
H,16,3.0,dd,"12.4,10.0"
H,17,3.0,dd,"12.4,6.5"
H,18,4.03,ddd,"10.0,8.5,6.5"
H,19,,,
H,20,3.9,dd,"8.5,3.2"
H,21,,,
H,22,4.06,dd,"3.2,1.2"
H,23,,,
