C,1,20.95,s,
C,2,169.4,s,
O,3,,,
O,4,,,
C,5,72.19,s,
C,6,141.82,s,
C,7,128.66,s,
C,8,20.54,s,
C,9,30.1,s,
C,10,18.3,s,
C,11,52.2,s,
C,12,68.0,s,
O,13,,,
C,14,169.35,s,
C,15,21.5,s,
O,16,,,
C,17,39.2,s,
C,18,58.7,s,
C,19,49.7,s,
O,20,,,
C,21,77.7,s,
O,22,,,
C,23,169.4,s,
C,24,21.58,s,
O,25,,,
C,26,31.3,s,
C,27,69.0,s,
O,28,,,
C,29,170.15,s,
C,30,21.31,s,
O,31,,,
C,32,47.9,s,
C,33,13.8,s,
C,34,75.01,s,
O,35,,,
C,36,169.49,s,
C,37,20.73,s,
O,38,,,
C,39,38.25,s,
C,40,29.66,s,
C,41,29.66,s,
H,42,2.05,s,
H,43,2.05,s,
H,44,2.05,s,
H,45,6.14,d,2.8
H,46,1.88,s,
H,47,1.88,s,
H,48,1.88,s,
H,49,1.97,ddd,"15.4,9.8,7.5"
H,50,1.97,ddd,"15.4,10.7,0.6"
H,51,1.58,m,
H,52,1.58,m,
H,53,2.12,ddd,"8.8,5.9,2.6"
H,54,4.98,dd,"8.8,3.3"
H,55,2.06,s,
H,56,2.06,s,
H,57,2.06,s,
H,58,3.07,d,3.3
H,59,3.31,s,
H,60,3.31,s,
H,61,4.54,dd,"9.2,7.3"
H,62,2.07,s,
H,63,2.07,s,
H,64,2.07,s,
H,65,2.13,ddd,"12.4,9.2,6.9"
H,66,2.13,ddd,"12.4,10.1,7.3"
H,67,4.91,dd,"10.1,6.9"
H,68,2.01,s,
H,69,2.01,s,
H,70,2.01,s,
H,71,1.66,s,
H,72,1.66,s,
H,73,1.66,s,
H,74,6.13,d,2.8
H,75,2.0,s,
H,76,2.0,s,
H,77,2.0,s,
H,78,1.39,s,
H,79,1.39,s,
H,80,1.39,s,
H,81,1.39,s,
H,82,1.39,s,
H,83,1.39,s,
