C,1,55.7,s,
O,2,,,
C,3,109.7,s,
O,4,,,
C,5,76.8,s,
C,6,75.4,s,
O,7,,,
C,8,73.1,s,
C,9,26.45,s,
C,10,26.45,s,
O,11,,,
C,12,33.1,s,
C,13,46.35,s,
C,14,52.2,s,
C,15,34.8,s,
C,16,118.0,s,
C,17,159.3,s,
C,18,39.94,s,
C,19,20.6,s,
C,20,37.39,s,
C,21,18.92,s,
C,22,48.76,s,
C,23,37.17,s,
C,24,17.14,s,
C,25,38.18,s,
C,26,24.19,s,
C,27,80.55,s,
O,28,,,
C,29,170.83,s,
C,30,21.21,s,
O,31,,,
C,32,39.26,s,
C,33,22.07,s,
C,34,22.07,s,
C,35,51.21,s,
C,36,27.0,s,
C,37,75.84,s,
O,38,,,
C,39,44.4,s,
C,40,27.3,s,
H,41,3.32,s,
H,42,3.32,s,
H,43,3.32,s,
H,44,5.23,d,2.6
H,45,4.61,ddd,"12.0,4.8,4.5"
H,46,4.12,d,4.8
H,47,,,
H,48,1.3,s,
H,49,1.3,s,
H,50,1.3,s,
H,51,1.3,s,
H,52,1.3,s,
H,53,1.3,s,
H,54,,,
H,55,1.88,ddd,"12.4,4.5,1.5"
H,56,1.88,ddd,"12.4,12.2,12.0"
H,57,1.7,m,
H,58,1.61,ddd,"8.0,5.7,0.8"
H,59,2.63,ddd,"12.4,5.7,0.8"
H,60,2.63,ddd,"12.4,8.0,2.6"
H,61,5.3,dd,"5.7,2.6"
H,62,1.01,s,
H,63,1.01,s,
H,64,1.01,s,
H,65,2.1,ddd,"12.4,10.6,8.4"
H,66,2.1,ddd,"12.4,10.7,0.4"
H,67,1.69,m,
H,68,1.69,m,
H,69,2.11,dd,"11.1,6.7"
H,70,0.89,s,
H,71,0.89,s,
H,72,0.89,s,
H,73,1.32,ddd,"12.4,9.6,8.5"
H,74,1.32,ddd,"12.4,10.0,1.5"
H,75,1.73,m,
H,76,1.73,m,
H,77,4.47,dd,"9.2,7.8"
H,78,2.01,s,
H,79,2.01,s,
H,80,2.01,s,
H,81,1.07,s,
H,82,1.07,s,
H,83,1.07,s,
H,84,1.07,s,
H,85,1.07,s,
H,86,1.07,s,
H,87,1.26,dd,"13.1,3.5"
H,88,1.88,ddd,"12.4,3.5,1.9"
H,89,1.88,ddd,"13.1,12.4,3.1"
H,90,4.12,dd,"3.1,1.9"
H,91,,,
H,92,1.25,s,
H,93,1.25,s,
H,94,1.25,s,
