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,18,22.4,s,
C,19,50.4,s,
C,20,37.67,s,
C,21,16.8,s,
C,22,38.62,s,
C,23,27.46,s,
C,24,78.78,s,
O,25,,,
C,26,39.0,s,
C,27,21.96,s,
C,28,21.96,s,
C,29,55.39,s,
C,30,18.17,s,
C,31,33.06,s,
C,32,44.7,s,
C,33,18.0,s,
H,34,0.99,s,
H,35,0.99,s,
H,36,0.99,s,
H,37,0.99,s,
H,38,0.99,s,
H,39,0.99,s,
H,40,1.63,ddd,"12.5,12.4,0.8"
H,41,1.63,ddd,"12.4,6.2,2.1"
H,42,1.72,ddd,"12.4,6.2,0.8"
H,43,1.72,ddd,"12.5,12.4,2.1"
H,44,,,
H,45,1.72,ddd,"12.4,6.3,4.3"
H,46,1.72,ddd,"12.8,12.4,5.5"
H,47,1.61,ddd,"12.4,5.5,4.3"
H,48,1.61,ddd,"12.8,12.4,6.3"
H,49,1.26,s,
H,50,1.26,s,
H,51,1.26,s,
H,52,2.43,s,
H,53,2.43,s,
H,54,2.37,ddd,"15.4,8.8,2.0"
H,55,2.37,ddd,"15.4,11.4,9.3"
H,56,1.58,m,
H,57,1.58,m,
H,58,1.22,dd,"11.9,1.7"
H,59,1.15,s,
H,60,1.15,s,
H,61,1.15,s,
H,62,1.35,ddd,"12.4,10.0,7.7"
H,63,1.35,ddd,"12.4,10.2,1.7"
H,64,1.66,m,
H,65,1.66,m,
H,66,3.32,dd,"9.7,4.6"
H,67,,,
H,68,0.94,s,
H,69,0.94,s,
H,70,0.94,s,
H,71,0.94,s,
H,72,0.94,s,
H,73,0.94,s,
H,74,0.73,dd,"11.5,5.4"
H,75,1.46,m,
H,76,1.46,m,
H,77,1.49,ddd,"12.4,9.9,6.4"
H,78,1.49,ddd,"12.4,10.0,1.7"
H,79,1.0,s,
H,80,1.0,s,
H,81,1.0,s,
