C,1,20.79,s,
C,2,169.89,s,
O,3,,,
O,4,,,
C,5,76.9,s,
C,6,79.25,s,
O,7,,,
C,8,169.1,s,
O,9,,,
C,10,34.31,s,
C,11,137.08,s,
C,12,19.61,s,
C,13,124.28,s,
C,14,20.65,s,
C,15,20.65,s,
C,16,54.73,s,
C,17,37.9,s,
C,18,29.67,s,
C,19,28.51,s,
C,20,45.8,s,
C,21,29.2,s,
C,22,65.3,s,
N,23,,,
C,24,42.85,s,
C,25,42.85,s,
C,26,23.3,s,
C,27,35.28,s,
C,28,38.86,s,
C,29,21.19,s,
C,30,50.54,s,
C,31,26.26,s,
C,32,27.31,s,
C,33,57.29,s,
C,34,,,
C,35,30.27,s,
O,36,,,
C,37,42.4,s,
C,38,16.87,s,
H,39,2.0,s,
H,40,2.0,s,
H,41,2.0,s,
H,42,4.77,d,7.0
H,43,5.72,dd,"7.9,7.0"
H,44,3.77,s,
H,45,3.77,s,
H,46,1.88,s,
H,47,1.88,s,
H,48,1.88,s,
H,49,1.87,s,
H,50,1.87,s,
H,51,1.87,s,
H,52,1.87,s,
H,53,1.87,s,
H,54,1.87,s,
H,55,1.86,dd,"8.9,7.9"
H,56,1.59,m,
H,57,1.29,m,
H,58,1.29,m,
H,59,1.48,m,
H,60,1.48,m,
H,61,1.44,m,
H,62,1.87,ddd,"12.4,11.1,10.0"
H,63,1.87,ddd,"12.4,6.8,3.6"
H,64,3.77,m,
H,65,2.38,s,
H,66,2.38,s,
H,67,2.38,s,
H,68,2.38,s,
H,69,2.38,s,
H,70,2.38,s,
H,71,1.84,m,
H,72,1.84,m,
H,73,1.72,ddd,"12.4,11.3,8.2"
H,74,1.72,ddd,"12.4,8.4,2.0"
H,75,1.23,s,
H,76,1.23,s,
H,77,1.23,s,
H,78,1.61,ddd,"11.0,8.3,6.8"
H,79,1.48,m,
H,80,1.48,m,
H,81,1.58,m,
H,82,1.58,m,
H,83,2.69,dd,"9.6,2.0"
H,84,2.11,s,
H,85,2.11,s,
H,86,2.11,s,
H,87,1.35,s,
H,88,1.35,s,
H,89,1.35,s,
