C,1,15.22,s,
C,2,35.66,s,
C,3,35.12,s,
C,4,75.84,s,
O,5,,,
C,6,41.86,s,
C,7,35.28,s,
C,8,20.97,s,
C,9,48.23,s,
N,10,,,
C,11,49.25,s,
C,12,22.4,s,
C,13,34.93,s,
C,14,61.74,s,
C,15,,,
O,16,,,
C,17,43.37,s,
C,18,49.79,s,
C,19,70.82,s,
O,20,,,
H,21,1.0,d,6.5
H,22,1.0,d,6.5
H,23,1.0,d,6.5
H,24,2.08,m,
H,25,1.88,ddd,"12.4,11.8,10.3"
H,26,1.88,ddd,"12.4,5.9,4.8"
H,27,4.12,dd,"11.8,5.9"
H,28,,,
H,29,1.72,ddd,"13.3,12.4,4.7"
H,30,1.72,ddd,"12.4,3.5,3.1"
H,31,1.61,m,
H,32,1.61,m,
H,33,2.9,ddd,"12.4,10.1,7.9"
H,34,2.9,ddd,"12.4,9.6,1.9"
H,35,2.25,ddd,"10.7,9.4,5.5"
H,36,2.25,ddd,"11.2,9.4,4.3"
H,37,2.25,m,
H,38,2.25,m,
H,39,1.99,ddd,"12.4,11.4,8.4"
H,40,1.99,ddd,"12.4,10.9,1.9"
H,41,2.74,dd,"18.4,10.7"
H,42,2.74,dd,"18.4,3.0"
H,43,2.12,ddd,"10.9,10.7,3.0"
H,44,4.79,dd,"10.9,10.5"
H,45,,,
