C,1,25.81,s,
C,2,77.48,s,
O,3,,,
C,4,37.09,s,
S,5,,,
C,6,40.97,s,
O,7,,,
O,8,,,
C,9,78.8,s,
O,10,,,
C,11,165.8,s,
O,12,,,
C,13,115.36,s,
C,14,161.75,s,
C,15,45.62,s,
C,16,20.64,s,
C,17,62.39,s,
O,18,,,
C,19,55.37,s,
C,20,42.83,s,
C,21,44.68,s,
C,22,23.91,s,
C,23,181.27,s,
O,24,,,
O,25,,,
C,26,79.25,s,
C,27,53.43,s,
C,28,62.7,s,
O,29,,,
C,30,77.48,s,
H,31,1.4,s,
H,32,1.4,s,
H,33,1.4,s,
H,34,,,
H,35,3.37,s,
H,36,3.37,s,
H,37,3.17,s,
H,38,3.17,s,
H,39,3.17,s,
H,40,4.56,s,
H,41,5.96,s,
H,42,1.25,s,
H,43,1.25,s,
H,44,1.25,s,
H,45,3.08,d,6.2
H,46,3.36,ddd,"6.2,4.5,2.2"
H,47,2.1,dd,"12.4,2.2"
H,48,2.1,dd,"12.4,4.5"
H,49,1.3,s,
H,50,1.3,s,
H,51,1.3,s,
H,52,4.66,dd,"4.5,2.7"
H,53,2.38,d,4.5
H,54,3.36,d,2.7
