C,1,18.52,s,
C,2,35.16,s,
C,3,33.37,s,
C,4,28.16,s,
C,5,43.82,s,
C,6,37.71,s,
C,7,82.84,s,
O,8,,,
C,9,81.82,s,
C,10,25.61,s,
C,11,25.61,s,
C,12,40.01,s,
C,13,15.9,s,
C,14,29.0,s,
C,15,28.16,s,
C,16,46.95,s,
H,17,0.92,d,6.5
H,18,0.92,d,6.5
H,19,0.92,d,6.5
H,20,1.68,m,
H,21,1.58,m,
H,22,1.58,m,
H,23,1.58,m,
H,24,1.58,m,
H,25,1.63,m,
H,26,1.96,dd,"12.4,0.8"
H,27,1.96,dd,"12.4,7.0"
H,28,1.34,s,
H,29,1.34,s,
H,30,1.34,s,
H,31,1.34,s,
H,32,1.34,s,
H,33,1.34,s,
H,34,1.93,qdd,"6.6,6.2,0.6"
H,35,1.0,d,6.6
H,36,1.0,d,6.6
H,37,1.0,d,6.6
H,38,1.58,m,
H,39,1.58,m,
H,40,1.58,m,
H,41,1.58,m,
H,42,2.13,ddd,"12.9,6.7,5.3"
