C,1,28.15,s,
C,2,32.6,s,
C,3,28.15,s,
C,4,36.8,s,
C,5,35.5,s,
C,6,48.0,s,
C,7,180.8,s,
O,8,,,
O,9,,,
C,10,32.5,s,
C,11,27.77,s,
C,12,41.1,s,
C,13,21.4,s,
C,14,135.5,s,
C,15,143.15,s,
C,16,40.6,s,
C,17,25.6,s,
C,18,23.93,s,
C,19,51.21,s,
C,20,44.7,s,
C,21,18.0,s,
C,22,33.06,s,
C,23,18.82,s,
C,24,51.09,s,
C,25,43.25,s,
C,26,23.65,s,
C,27,65.75,s,
O,28,,,
C,29,85.6,s,
O,30,,,
C,31,69.1,s,
O,32,,,
C,33,42.83,s,
C,34,37.67,s,
C,35,16.8,s,
H,36,0.99,s,
H,37,0.99,s,
H,38,0.99,s,
H,39,0.99,s,
H,40,0.99,s,
H,41,0.99,s,
H,42,1.63,ddd,"12.4,7.9,1.7"
H,43,1.63,ddd,"12.4,10.6,8.8"
H,44,1.72,ddd,"12.4,10.6,7.9"
H,45,1.72,ddd,"12.4,8.8,1.7"
H,46,,,
H,47,1.72,ddd,"12.4,6.3,3.2"
H,48,1.72,ddd,"12.6,12.4,5.4"
H,49,1.61,ddd,"12.4,5.4,3.2"
H,50,1.61,ddd,"12.6,12.4,6.3"
H,51,1.26,s,
H,52,1.26,s,
H,53,1.26,s,
H,54,2.43,s,
H,55,2.43,s,
H,56,2.37,ddd,"15.4,11.8,2.2"
H,57,2.37,ddd,"15.4,11.5,5.4"
H,58,1.61,m,
H,59,1.61,m,
H,60,1.45,dd,"11.9,6.7"
H,61,1.0,s,
H,62,1.0,s,
H,63,1.0,s,
H,64,1.49,ddd,"12.4,8.2,3.0"
H,65,1.49,ddd,"12.4,10.8,7.7"
H,66,1.52,m,
H,67,1.52,m,
H,68,1.76,dd,"10.1,9.3"
H,69,1.24,s,
H,70,1.24,s,
H,71,1.24,s,
H,72,4.03,s,
H,73,4.03,s,
H,74,,,
H,75,4.13,d,1.1
H,76,,,
H,77,4.14,ddd,"8.2,2.2,1.1"
H,78,,,
H,79,2.19,dd,"12.4,2.2"
H,80,2.19,dd,"12.4,8.2"
H,81,1.15,s,
H,82,1.15,s,
H,83,1.15,s,
