C,1,21.1,s,
C,2,170.07,s,
O,3,,,
O,4,,,
C,5,81.22,s,
C,6,130.07,s,
C,7,138.4,s,
C,8,60.5,s,
O,9,,,
C,10,171.65,s,
O,11,,,
C,12,46.3,s,
C,13,70.6,s,
C,14,27.8,s,
O,15,,,
C,16,45.9,s,
C,17,174.8,s,
O,18,,,
O,19,,,
C,20,34.0,s,
C,21,26.26,s,
C,22,129.35,s,
C,23,134.23,s,
C,24,16.13,s,
C,25,38.81,s,
C,26,25.8,s,
C,27,50.54,s,
C,28,46.95,s,
C,29,81.82,s,
C,30,25.61,s,
C,31,25.61,s,
O,32,,,
C,33,170.11,s,
C,34,21.54,s,
O,35,,,
C,36,26.4,s,
C,37,35.28,s,
C,38,41.4,s,
C,39,20.67,s,
H,40,2.12,s,
H,41,2.12,s,
H,42,2.12,s,
H,43,4.9,d,4.0
H,44,5.77,d,4.0
H,45,4.66,s,
H,46,4.66,s,
H,47,3.23,s,
H,48,3.23,s,
H,49,1.7,s,
H,50,1.7,s,
H,51,1.7,s,
H,52,,,
H,53,2.54,s,
H,54,2.54,s,
H,55,,,
H,56,2.23,ddd,"15.4,7.9,1.1"
H,57,2.23,ddd,"15.4,11.2,9.9"
H,58,2.18,m,
H,59,2.18,m,
H,60,4.95,dd,"11.3,3.0"
H,61,1.58,s,
H,62,1.58,s,
H,63,1.58,s,
H,64,2.11,ddd,"15.4,11.9,4.3"
H,65,2.11,ddd,"15.4,12.2,1.4"
H,66,1.77,m,
H,67,1.77,m,
H,68,1.61,ddd,"11.6,4.4,2.8"
H,69,2.13,ddd,"11.6,10.8,7.5"
H,70,1.34,s,
H,71,1.34,s,
H,72,1.34,s,
H,73,1.34,s,
H,74,1.34,s,
H,75,1.34,s,
H,76,2.14,s,
H,77,2.14,s,
H,78,2.14,s,
H,79,1.58,m,
H,80,1.58,m,
H,81,1.72,ddd,"12.4,10.9,9.0"
H,82,1.72,ddd,"12.4,8.5,0.7"
H,83,0.87,s,
H,84,0.87,s,
H,85,0.87,s,
