C,1,27.77,s,
C,2,72.88,s,
C,3,27.77,s,
O,4,,,
C,5,46.95,s,
C,6,26.4,s,
C,7,35.28,s,
C,8,48.9,s,
C,9,180.72,s,
O,10,,,
O,11,,,
C,12,26.17,s,
C,13,30.24,s,
C,14,42.42,s,
C,15,14.89,s,
C,16,38.5,s,
C,17,26.47,s,
C,18,21.53,s,
C,19,50.7,s,
C,20,37.07,s,
C,21,15.97,s,
C,22,38.78,s,
C,23,27.46,s,
C,24,78.78,s,
O,25,,,
C,26,39.0,s,
C,27,21.96,s,
C,28,21.96,s,
C,29,55.39,s,
C,30,18.23,s,
C,31,34.6,s,
C,32,41.74,s,
C,33,16.18,s,
C,34,49.2,s,
H,35,1.22,s,
H,36,1.22,s,
H,37,1.22,s,
H,38,1.22,s,
H,39,1.22,s,
H,40,1.22,s,
H,41,,,
H,42,2.13,ddd,"12.8,11.5,6.7"
H,43,1.58,m,
H,44,1.58,m,
H,45,1.72,ddd,"12.4,5.8,1.5"
H,46,1.72,ddd,"13.6,12.4,5.4"
H,47,,,
H,48,2.31,ddd,"12.4,11.2,1.2"
H,49,2.31,ddd,"12.4,7.9,1.9"
H,50,1.66,ddd,"12.4,7.9,1.2"
H,51,1.66,ddd,"12.4,11.2,1.9"
H,52,1.03,s,
H,53,1.03,s,
H,54,1.03,s,
H,55,2.18,ddd,"13.2,7.2,1.9"
H,56,1.54,m,
H,57,1.54,m,
H,58,1.3,m,
H,59,1.3,m,
H,60,1.29,dd,"11.3,1.2"
H,61,0.83,s,
H,62,0.83,s,
H,63,0.83,s,
H,64,1.29,ddd,"12.4,10.7,8.5"
H,65,1.29,ddd,"12.4,6.4,2.9"
H,66,1.66,m,
H,67,1.66,m,
H,68,3.32,dd,"10.0,3.3"
H,69,,,
H,70,0.94,s,
H,71,0.94,s,
H,72,0.94,s,
H,73,0.94,s,
H,74,0.94,s,
H,75,0.94,s,
H,76,0.73,dd,"10.6,4.7"
H,77,1.46,m,
H,78,1.46,m,
H,79,1.5,ddd,"12.4,9.4,8.6"
H,80,1.5,ddd,"12.4,7.9,2.5"
H,81,1.05,s,
H,82,1.05,s,
H,83,1.05,s,
H,84,2.83,dd,"11.5,1.9"
