C,1,51.6,s,
O,2,,,
C,3,172.5,s,
O,4,,,
C,5,51.6,s,
C,6,32.2,s,
C,7,24.1,s,
C,8,53.6,s,
C,9,130.2,s,
N,10,,,
C,11,136.1,s,
C,12,95.0,s,
C,13,155.65,s,
O,14,,,
C,15,55.34,s,
C,16,108.65,s,
C,17,118.2,s,
C,18,121.9,s,
C,19,107.7,s,
C,20,16.7,s,
C,21,51.1,s,
N,22,,,
C,23,48.8,s,
C,24,33.8,s,
C,25,29.6,s,
C,26,77.7,s,
O,27,,,
C,28,165.0,s,
O,29,,,
C,30,124.9,s,
C,31,106.7,s,
C,32,152.78,s,
O,33,,,
C,34,56.13,s,
C,35,142.38,s,
O,36,,,
C,37,60.79,s,
C,38,152.78,s,
O,39,,,
C,40,56.13,s,
C,41,106.7,s,
C,42,77.8,s,
O,43,,,
C,44,60.5,s,
H,45,3.74,s,
H,46,3.74,s,
H,47,3.74,s,
H,48,3.31,dd,"11.1,5.2"
H,49,2.12,m,
H,50,1.68,ddd,"12.6,12.4,10.7"
H,51,1.68,ddd,"12.4,8.6,4.1"
H,52,4.6,dd,"12.6,4.1"
H,53,,,
H,54,6.85,dd,"1.9,0.5"
H,55,3.88,s,
H,56,3.88,s,
H,57,3.88,s,
H,58,6.84,dd,"6.7,1.9"
H,59,7.55,dd,"6.7,0.5"
H,60,2.54,ddd,"15.4,5.2,2.7"
H,61,2.54,ddd,"15.4,13.0,3.8"
H,62,3.05,ddd,"12.4,3.8,2.7"
H,63,3.05,ddd,"13.0,12.4,5.2"
H,64,3.31,dd,"12.4,1.6"
H,65,3.31,dd,"12.4,3.9"
H,66,3.15,m,
H,67,1.88,ddd,"12.4,5.3,2.1"
H,68,1.88,ddd,"13.0,12.4,10.9"
H,69,4.61,ddd,"10.9,9.7,2.1"
H,70,7.28,s,
H,71,3.87,s,
H,72,3.87,s,
H,73,3.87,s,
H,74,3.85,s,
H,75,3.85,s,
H,76,3.85,s,
H,77,3.87,s,
H,78,3.87,s,
H,79,3.87,s,
H,80,7.28,s,
H,81,4.66,dd,"11.1,9.7"
H,82,3.46,s,
H,83,3.46,s,
H,84,3.46,s,
