C,1,16.2,s,
C,2,36.6,s,
C,3,27.35,s,
C,4,22.66,s,
C,5,34.97,s,
C,6,36.54,s,
C,7,21.2,s,
C,8,35.01,s,
C,9,22.57,s,
C,10,43.82,s,
C,11,72.44,s,
C,12,27.51,s,
C,13,27.51,s,
O,14,,,
C,15,37.71,s,
C,16,82.97,s,
O,17,,,
H,18,1.0,d,6.6
H,19,1.0,d,6.6
H,20,1.0,d,6.6
H,21,1.93,qdd,"6.6,5.3,1.7"
H,22,1.58,m,
H,23,1.58,m,
H,24,1.26,m,
H,25,1.26,m,
H,26,1.72,ddd,"13.8,12.4,5.3"
H,27,1.72,ddd,"12.4,4.3,2.7"
H,28,1.13,s,
H,29,1.13,s,
H,30,1.13,s,
H,31,1.72,ddd,"12.4,4.1,2.8"
H,32,1.72,ddd,"13.7,12.4,4.6"
H,33,1.47,m,
H,34,1.47,ddt,"12.4,4.6,2.8"
H,35,1.63,m,
H,36,1.2,s,
H,37,1.2,s,
H,38,1.2,s,
H,39,1.2,s,
H,40,1.2,s,
H,41,1.2,s,
H,42,,,
H,43,1.96,dd,"12.4,1.7"
H,44,1.96,dd,"12.4,11.8"
H,45,,,
