C,1,15.19,s,
C,2,36.05,s,
C,3,70.43,s,
O,4,,,
C,5,80.12,s,
C,6,126.72,s,
C,7,158.73,s,
O,8,,,
C,9,123.47,s,
C,10,133.58,s,
S,11,,,
C,12,161.1,s,
N,13,,,
C,14,151.5,s,
C,15,121.09,s,
C,16,33.89,s,
C,17,50.54,s,
C,18,44.87,s,
C,19,178.56,s,
O,20,,,
O,21,,,
C,22,18.5,s,
C,23,28.55,s,
C,24,50.54,s,
C,25,44.46,s,
C,26,28.16,s,
C,27,35.28,s,
C,28,41.86,s,
H,29,0.83,d,6.5
H,30,0.83,d,6.5
H,31,0.83,d,6.5
H,32,1.6,m,
H,33,4.04,dd,"12.4,8.6"
H,34,4.04,dd,"12.4,9.1"
H,35,6.02,s,
H,36,,,
H,37,7.45,s,
H,38,9.22,s,
H,39,3.01,dd,"15.4,10.4"
H,40,3.01,dd,"15.4,1.6"
H,41,1.61,ddd,"11.8,10.4,1.6"
H,42,2.67,ddd,"11.8,11.7,5.4"
H,43,,,
H,44,1.58,m,
H,45,1.58,m,
H,46,1.68,m,
H,47,1.68,m,
H,48,1.61,ddd,"11.4,6.2,6.0"
H,49,1.88,m,
H,50,1.58,m,
H,51,1.58,m,
H,52,1.72,ddd,"12.4,9.6,9.4"
H,53,1.72,ddd,"12.4,10.6,2.0"
