C,1,13.5,s,
S,2,,,
C,3,64.8,s,
C,4,164.3,s,
O,5,,,
N,6,,,
C,7,30.5,s,
C,8,75.8,s,
C,9,42.0,s,
C,10,124.8,s,
C,11,126.82,s,
C,12,115.01,s,
C,13,161.0,s,
O,14,,,
C,15,66.64,s,
C,16,124.26,s,
C,17,134.65,s,
C,18,17.8,s,
C,19,66.83,s,
O,20,,,
C,21,115.01,s,
C,22,126.82,s,
S,23,,,
C,24,15.8,s,
C,25,165.5,s,
O,26,,,
N,27,,,
C,28,33.5,s,
H,29,2.09,s,
H,30,2.09,s,
H,31,2.09,s,
H,32,5.53,s,
H,33,3.35,s,
H,34,3.35,s,
H,35,3.35,s,
H,36,2.05,s,
H,37,2.05,s,
H,38,6.92,ddd,"9.8,1.9,0.5"
H,39,6.85,ddd,"9.8,1.9,0.5"
H,40,4.57,d,7.0
H,41,4.57,d,7.0
H,42,5.7,t,7.0
H,43,1.81,s,
H,44,1.81,s,
H,45,1.81,s,
H,46,4.03,s,
H,47,4.03,s,
H,48,,,
H,49,6.85,ddd,"7.5,1.9,0.5"
H,50,6.92,ddd,"7.5,1.9,0.5"
H,51,1.74,s,
H,52,1.74,s,
H,53,1.74,s,
H,54,3.01,s,
H,55,3.01,s,
H,56,3.01,s,
