C,1,15.9,s,
C,2,40.01,s,
C,3,35.12,s,
C,4,83.52,s,
O,5,,,
C,6,113.9,s,
C,7,27.3,s,
C,8,27.3,s,
O,9,,,
C,10,77.48,s,
C,11,25.81,s,
C,12,52.87,s,
C,13,20.59,s,
C,14,31.5,s,
C,15,84.4,s,
O,16,,,
C,17,164.4,s,
C,18,120.4,s,
C,19,,,
O,20,,,
C,21,52.7,s,
C,22,32.8,s,
C,23,68.0,s,
O,24,,,
C,25,71.21,s,
O,26,,,
C,27,39.6,s,
C,28,38.86,s,
C,29,21.19,s,
C,30,34.0,s,
C,31,20.37,s,
C,32,35.28,s,
C,33,49.1,s,
C,34,18.5,s,
C,35,73.49,s,
C,36,26.67,s,
C,37,26.67,s,
O,38,,,
H,39,1.0,d,6.6
H,40,1.0,d,6.6
H,41,1.0,d,6.6
H,42,1.93,qt,"6.6,6.2"
H,43,1.88,dd,"6.2,5.9"
H,44,1.88,dd,"6.2,5.9"
H,45,4.54,t,5.9
H,46,1.36,s,
H,47,1.36,s,
H,48,1.36,s,
H,49,1.36,s,
H,50,1.36,s,
H,51,1.36,s,
H,52,1.12,s,
H,53,1.12,s,
H,54,1.12,s,
H,55,2.34,dd,"11.1,4.1"
H,56,2.51,m,
H,57,2.51,m,
H,58,2.13,ddd,"12.4,10.1,9.1"
H,59,2.13,ddd,"12.4,10.0,0.7"
H,60,,,
H,61,6.07,s,
H,62,3.02,dd,"5.8,2.6"
H,63,1.89,ddd,"12.4,9.8,2.6"
H,64,1.89,ddd,"12.4,5.8,4.2"
H,65,4.21,ddd,"9.8,6.1,4.2"
H,66,,,
H,67,4.16,ddd,"8.2,6.8,6.1"
H,68,,,
H,69,2.64,dd,"12.4,6.8"
H,70,2.64,dd,"12.4,8.2"
H,71,1.14,s,
H,72,1.14,s,
H,73,1.14,s,
H,74,3.59,dd,"12.9,6.1"
H,75,1.96,m,
H,76,1.96,m,
H,77,2.48,ddd,"12.4,4.1,3.3"
H,78,2.48,ddd,"13.5,12.4,5.1"
H,79,0.75,s,
H,80,0.75,s,
H,81,0.75,s,
H,82,1.15,s,
H,83,1.15,s,
H,84,1.15,s,
H,85,1.15,s,
H,86,1.15,s,
H,87,1.15,s,
H,88,,,
