C,1,15.8,s,
S,2,,,
C,3,75.8,s,
C,4,30.5,s,
C,5,53.09,s,
C,6,,,
O,7,,,
C,8,33.8,s,
C,9,30.57,s,
C,10,70.75,s,
O,11,,,
C,12,65.95,s,
N,13,,,
C,14,165.39,s,
O,15,,,
C,16,76.67,s,
C,17,30.5,s,
C,18,53.09,s,
C,19,,,
O,20,,,
C,21,43.85,s,
C,22,62.4,s,
S,23,,,
S,24,,,
C,25,80.4,s,
O,26,,,
C,27,65.95,s,
N,28,,,
C,29,165.39,s,
O,30,,,
H,31,1.74,s,
H,32,1.74,s,
H,33,1.74,s,
H,34,1.77,dd,"12.4,8.6"
H,35,1.77,dd,"12.4,9.2"
H,36,2.83,ddd,"11.9,9.2,8.6"
H,37,2.67,ddd,"15.4,8.1,1.5"
H,38,2.67,ddd,"15.4,10.9,8.2"
H,39,1.8,m,
H,40,1.8,m,
H,41,4.22,ddd,"8.9,1.3,0.7"
H,42,,,
H,43,3.18,dd,"11.9,0.7"
H,44,1.77,dd,"12.4,10.8"
H,45,1.77,dd,"12.4,6.9"
H,46,2.83,ddd,"10.8,8.1,6.9"
H,47,2.06,dd,"15.4,7.8"
H,48,2.06,dd,"15.4,1.0"
H,49,4.42,ddd,"7.8,2.1,1.0"
H,50,5.25,dd,"2.1,1.9"
H,51,,,
H,52,3.18,dd,"8.1,1.9"
