O,1,,,
C,2,,,
C,3,43.85,s,
C,4,43.2,s,
S,5,,,
C,6,75.8,s,
C,7,30.5,s,
C,8,53.09,s,
C,9,65.95,s,
C,10,80.4,s,
O,11,,,
N,12,,,
C,13,165.39,s,
O,14,,,
C,15,75.8,s,
C,16,30.5,s,
C,17,53.09,s,
C,18,,,
O,19,,,
C,20,43.85,s,
C,21,43.2,s,
S,22,,,
C,23,80.4,s,
O,24,,,
C,25,65.95,s,
N,26,,,
C,27,165.39,s,
O,28,,,
H,29,2.06,dd,"15.4,7.4"
H,30,2.06,dd,"15.4,0.4"
H,31,4.08,ddd,"7.4,4.4,0.4"
H,32,1.77,dd,"12.4,4.4"
H,33,1.77,dd,"12.4,11.0"
H,34,2.83,ddd,"11.0,8.6,4.4"
H,35,3.18,dd,"8.6,1.3"
H,36,5.25,dd,"4.4,1.3"
H,37,,,
H,38,1.77,dd,"12.4,11.0"
H,39,1.77,dd,"12.4,3.5"
H,40,2.83,ddd,"11.0,8.8,3.5"
H,41,2.06,dd,"15.4,7.9"
H,42,2.06,dd,"15.4,0.9"
H,43,4.08,ddd,"7.9,3.3,0.9"
H,44,5.25,dd,"7.7,3.3"
H,45,,,
H,46,3.18,dd,"8.8,7.7"
