C,1,57.01,s,
O,2,,,
C,3,78.54,s,
C,4,130.07,s,
C,5,149.11,s,
C,6,46.64,s,
C,7,46.7,s,
C,8,31.1,s,
C,9,28.5,s,
C,10,28.5,s,
C,11,34.7,s,
C,12,37.1,s,
C,13,32.5,s,
C,14,28.4,s,
C,15,26.75,s,
C,16,26.94,s,
C,17,42.15,s,
C,18,24.21,s,
C,19,43.99,s,
C,20,17.82,s,
C,21,33.77,s,
C,22,18.17,s,
C,23,54.35,s,
C,24,38.71,s,
C,25,22.42,s,
C,26,22.42,s,
C,27,78.44,s,
O,28,,,
C,29,27.31,s,
C,30,38.2,s,
C,31,41.58,s,
C,32,13.76,s,
C,33,54.99,s,
H,34,3.2,s,
H,35,3.2,s,
H,36,3.2,s,
H,37,5.13,dd,"6.6,0.7"
H,38,5.77,d,6.6
H,39,2.94,dd,"13.4,3.5"
H,40,2.22,dd,"12.4,3.5"
H,41,2.22,dd,"13.4,12.4"
H,42,0.94,s,
H,43,0.94,s,
H,44,0.94,s,
H,45,0.94,s,
H,46,0.94,s,
H,47,0.94,s,
H,48,1.38,ddd,"12.4,4.3,4.0"
H,49,1.38,ddd,"13.5,12.4,4.3"
H,50,1.49,ddd,"12.4,4.3,4.0"
H,51,1.49,ddd,"13.5,12.4,4.3"
H,52,0.95,s,
H,53,0.95,s,
H,54,0.95,s,
H,55,1.54,ddd,"12.4,5.3,2.0"
H,56,1.54,ddd,"12.4,11.8,0.7"
H,57,1.63,ddd,"12.4,5.3,0.7"
H,58,1.63,ddd,"12.4,11.8,2.0"
H,59,1.31,s,
H,60,1.31,s,
H,61,1.31,s,
H,62,1.02,s,
H,63,1.02,s,
H,64,1.02,s,
H,65,1.59,ddd,"12.4,5.3,2.5"
H,66,1.59,ddd,"12.9,12.4,6.6"
H,67,1.46,m,
H,68,1.46,m,
H,69,1.07,dd,"11.9,6.8"
H,70,0.94,s,
H,71,0.94,s,
H,72,0.94,s,
H,73,0.94,s,
H,74,0.94,s,
H,75,0.94,s,
H,76,3.32,dd,"10.1,3.2"
H,77,,,
H,78,1.69,m,
H,79,1.69,m,
H,80,1.72,ddd,"12.4,11.6,5.1"
H,81,1.72,ddd,"12.4,11.3,0.8"
H,82,0.74,s,
H,83,0.74,s,
H,84,0.74,s,
H,85,2.65,d,0.7
