C,1,19.74,s,
C,2,67.4,s,
O,3,,,
C,4,67.6,s,
C,5,30.4,s,
C,6,70.7,s,
O,7,,,
C,8,31.8,s,
C,9,64.0,s,
C,10,33.4,s,
C,11,22.0,s,
C,12,36.5,s,
C,13,47.4,s,
N,14,,,
C,15,153.6,s,
C,16,107.6,s,
C,17,141.3,s,
C,18,116.57,s,
C,19,165.3,s,
O,20,,,
N,21,,,
C,22,53.2,s,
H,23,1.15,d,6.1
H,24,1.15,d,6.1
H,25,1.15,d,6.1
H,26,4.15,qd,"6.1,4.7"
H,27,,,
H,28,3.41,ddd,"11.0,4.7,1.3"
H,29,2.46,ddd,"12.4,11.8,11.0"
H,30,2.46,ddd,"12.4,2.3,1.3"
H,31,4.18,m,
H,32,,,
H,33,2.2,ddd,"12.4,4.0,3.8"
H,34,2.2,ddd,"12.4,11.9,11.5"
H,35,3.6,ddd,"11.9,3.8,1.7"
H,36,2.83,m,
H,37,1.66,ddd,"12.4,4.5,2.2"
H,38,1.66,ddd,"12.4,3.3,2.5"
H,39,2.91,m,
H,40,3.31,dd,"12.4,9.5"
H,41,3.31,dd,"12.4,7.7"
H,42,6.0,dd,"6.9,1.4"
H,43,7.3,dd,"7.9,6.9"
H,44,6.39,dd,"7.9,1.4"
H,45,3.31,dd,"12.4,11.4"
H,46,3.31,dd,"12.4,2.0"
