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,15,65.38,s,
C,16,119.57,s,
C,17,138.93,s,
C,18,22.13,s,
C,19,22.13,s,
C,20,115.01,s,
C,21,126.82,s,
S,22,,,
C,23,15.8,s,
C,24,165.5,s,
O,25,,,
N,26,,,
C,27,33.5,s,
H,28,2.09,s,
H,29,2.09,s,
H,30,2.09,s,
H,31,5.53,s,
H,32,3.35,s,
H,33,3.35,s,
H,34,3.35,s,
H,35,2.05,s,
H,36,2.05,s,
H,37,6.92,ddd,"6.5,1.9,0.5"
H,38,6.85,ddd,"6.5,1.9,0.5"
H,39,4.57,d,7.0
H,40,4.57,d,7.0
H,41,5.6,t,7.0
H,42,1.77,s,
H,43,1.77,s,
H,44,1.77,s,
H,45,1.77,s,
H,46,1.77,s,
H,47,1.77,s,
H,48,6.85,ddd,"7.3,1.9,0.5"
H,49,6.92,ddd,"7.3,1.9,0.5"
H,50,1.74,s,
H,51,1.74,s,
H,52,1.74,s,
H,53,3.01,s,
H,54,3.01,s,
H,55,3.01,s,
