C,1,27.15,s,
S,2,,,
O,3,,,
C,4,42.92,s,
C,5,77.48,s,
C,6,25.81,s,
O,7,,,
C,8,78.8,s,
O,9,,,
C,10,165.8,s,
O,11,,,
C,12,115.36,s,
C,13,161.75,s,
C,14,39.94,s,
C,15,20.6,s,
C,16,44.86,s,
C,17,60.32,s,
Cl,18,,,
C,19,73.63,s,
O,20,,,
C,21,48.79,s,
C,22,21.15,s,
C,23,174.33,s,
O,24,,,
O,25,,,
C,26,79.25,s,
C,27,62.7,s,
O,28,,,
C,29,77.48,s,
C,30,40.4,s,
H,31,3.08,s,
H,32,3.08,s,
H,33,3.08,s,
H,34,4.76,s,
H,35,4.76,s,
H,36,1.4,s,
H,37,1.4,s,
H,38,1.4,s,
H,39,,,
H,40,4.56,s,
H,41,5.96,s,
H,42,1.08,s,
H,43,1.08,s,
H,44,1.08,s,
H,45,3.06,dd,"12.4,11.3"
H,46,3.06,dd,"12.4,7.1"
H,47,4.12,ddd,"11.3,7.1,3.9"
H,48,4.52,d,3.9
H,49,,,
H,50,1.54,s,
H,51,1.54,s,
H,52,1.54,s,
H,53,4.66,dd,"3.8,3.3"
H,54,3.36,d,3.3
H,55,2.47,d,3.8
