C,1,55.32,s,
O,2,,,
C,3,159.56,s,
C,4,113.99,s,
C,5,124.08,s,
C,6,138.46,s,
C,7,77.89,s,
C,8,49.86,s,
N,9,,,
C,10,186.37,s,
S,11,,,
O,12,,,
C,13,124.08,s,
C,14,113.99,s,
H,15,3.76,s,
H,16,3.76,s,
H,17,3.76,s,
H,18,6.83,ddd,"8.2,1.9,0.5"
H,19,7.13,ddd,"8.2,1.9,0.5"
H,20,5.5,dd,"11.5,5.8"
H,21,3.0,dd,"12.4,5.8"
H,22,3.0,dd,"12.4,11.5"
H,23,,,
H,24,7.13,ddd,"7.6,1.9,0.5"
H,25,6.83,ddd,"7.6,1.9,0.5"
