C,1,25.54,s,
C,2,42.43,s,
C,3,70.96,s,
O,4,,,
C,5,35.28,s,
C,6,35.28,s,
C,7,41.86,s,
C,8,35.28,s,
C,9,35.28,s,
C,10,44.35,s,
C,11,24.38,s,
C,12,167.36,s,
C,13,126.29,s,
C,14,24.28,s,
C,15,47.45,s,
C,16,38.35,s,
C,17,17.05,s,
C,18,46.6,s,
C,19,68.6,s,
O,20,,,
C,21,77.86,s,
O,22,,,
C,23,41.86,s,
C,24,67.18,s,
O,25,,,
C,26,67.18,s,
O,27,,,
C,28,51.21,s,
C,29,18.32,s,
C,30,33.06,s,
C,31,40.32,s,
C,32,17.06,s,
C,33,78.42,s,
O,34,,,
C,35,52.01,s,
H,36,1.13,s,
H,37,1.13,s,
H,38,1.13,s,
H,39,3.97,s,
H,40,3.97,s,
H,41,,,
H,42,1.72,ddd,"12.4,11.9,6.1"
H,43,1.72,ddd,"12.4,8.0,0.6"
H,44,1.72,ddd,"12.4,11.9,8.0"
H,45,1.72,ddd,"12.4,6.1,0.6"
H,46,1.72,ddd,"14.1,12.4,2.9"
H,47,1.72,ddd,"12.4,4.5,4.3"
H,48,1.72,ddd,"12.4,4.5,2.9"
H,49,1.72,ddd,"14.1,12.4,4.3"
H,50,1.26,s,
H,51,1.26,s,
H,52,1.26,s,
H,53,5.54,dd,"4.5,3.1"
H,54,2.0,ddd,"15.4,5.6,4.5"
H,55,2.0,ddd,"15.4,13.0,3.1"
H,56,1.63,dd,"13.0,5.6"
H,57,0.93,s,
H,58,0.93,s,
H,59,0.93,s,
H,60,2.08,dd,"12.4,7.5"
H,61,2.08,dd,"12.4,9.4"
H,62,4.46,ddd,"9.4,7.5,6.1"
H,63,,,
H,64,4.11,d,6.1
H,65,,,
H,66,4.75,s,
H,67,4.75,s,
H,68,,,
H,69,4.75,s,
H,70,4.75,s,
H,71,,,
H,72,1.34,dd,"10.6,6.7"
H,73,1.31,m,
H,74,1.31,m,
H,75,1.49,ddd,"12.4,9.7,1.5"
H,76,1.49,ddd,"12.4,9.4,9.1"
H,77,1.0,s,
H,78,1.0,s,
H,79,1.0,s,
H,80,4.41,s,
H,81,,,
H,82,1.26,s,
H,83,1.26,s,
