C,1,56.03,s,
O,2,,,
C,3,155.48,s,
C,4,111.07,s,
C,5,127.92,s,
C,6,130.1,s,
C,7,49.48,s,
S,8,,,
S,9,,,
C,10,80.76,s,
C,11,43.4,s,
C,12,77.48,s,
O,13,,,
C,14,84.0,s,
O,15,,,
N,16,,,
C,17,171.5,s,
O,18,,,
C,19,57.53,s,
N,20,,,
C,21,162.36,s,
O,22,,,
C,23,64.7,s,
O,24,,,
C,25,133.32,s,
C,26,127.06,s,
C,27,28.57,s,
I,28,,,
C,29,147.14,s,
O,30,,,
C,31,135.77,s,
O,32,,,
C,33,60.52,s,
H,34,3.86,s,
H,35,3.86,s,
H,36,3.86,s,
H,37,6.84,d,7.5
H,38,7.56,d,7.5
H,39,4.42,d,2.9
H,40,2.05,s,
H,41,2.05,s,
H,42,,,
H,43,4.52,d,7.3
H,44,4.28,d,2.9
H,45,,,
H,46,4.22,dd,"7.3,6.6"
H,47,,,
H,48,6.14,dd,"11.0,6.6"
H,49,6.44,dd,"11.0,2.7"
H,50,4.38,d,2.7
H,51,,,
H,52,3.88,s,
H,53,3.88,s,
H,54,3.88,s,
