C,1,17.39,s,
C,2,34.91,s,
C,3,17.39,s,
C,4,77.48,s,
O,5,,,
C,6,62.7,s,
C,7,62.7,s,
O,8,,,
C,9,77.48,s,
C,10,43.82,s,
C,11,18.07,s,
C,12,35.28,s,
C,13,25.5,s,
C,14,130.13,s,
C,15,134.87,s,
C,16,67.61,s,
O,17,,,
C,18,173.83,s,
O,19,,,
C,20,47.74,s,
C,21,35.12,s,
C,22,60.94,s,
O,23,,,
C,24,77.48,s,
C,25,73.63,s,
O,26,,,
H,27,0.94,d,6.6
H,28,0.94,d,6.6
H,29,0.94,d,6.6
H,30,2.02,m,6.6
H,31,0.94,d,6.6
H,32,0.94,d,6.6
H,33,0.94,d,6.6
H,34,3.36,s,
H,35,3.36,s,
H,36,1.05,s,
H,37,1.05,s,
H,38,1.05,s,
H,39,1.72,ddd,"12.4,11.3,1.6"
H,40,1.72,ddd,"12.4,10.9,7.2"
H,41,2.42,ddd,"15.4,10.9,1.6"
H,42,2.42,ddd,"15.4,11.3,7.2"
H,43,4.78,s,
H,44,4.78,s,
H,45,2.94,dd,"13.1,3.6"
H,46,1.88,dd,"13.1,12.4"
H,47,1.88,ddd,"12.4,4.2,3.6"
H,48,3.37,d,4.2
H,49,4.52,s,
H,50,,,
