C,1,27.63,s,
C,2,84.0,s,
C,3,27.63,s,
O,4,,,
C,5,174.33,s,
O,6,,,
C,7,48.9,s,
C,8,35.28,s,
C,9,26.4,s,
C,10,46.95,s,
C,11,49.2,s,
C,12,38.5,s,
C,13,26.47,s,
C,14,21.53,s,
C,15,50.7,s,
C,16,41.74,s,
C,17,16.18,s,
C,18,34.6,s,
C,19,18.23,s,
C,20,55.39,s,
C,21,39.0,s,
C,22,21.96,s,
C,23,21.96,s,
C,24,78.78,s,
O,25,,,
C,26,27.46,s,
C,27,38.78,s,
C,28,37.07,s,
C,29,15.97,s,
C,30,42.42,s,
C,31,14.89,s,
C,32,29.83,s,
C,33,26.17,s,
H,34,1.42,s,
H,35,1.42,s,
H,36,1.42,s,
H,37,1.42,s,
H,38,1.42,s,
H,39,1.42,s,
H,40,1.72,ddd,"12.4,10.4,1.1"
H,41,1.72,ddd,"12.4,10.2,8.1"
H,42,1.58,m,
H,43,1.58,m,
H,44,2.13,ddd,"6.6,1.3,0.5"
H,45,2.83,dd,"8.3,1.3"
H,46,2.18,ddd,"9.7,8.3,8.2"
H,47,1.54,m,
H,48,1.54,m,
H,49,1.3,m,
H,50,1.3,m,
H,51,1.29,dd,"11.5,2.0"
H,52,1.05,s,
H,53,1.05,s,
H,54,1.05,s,
H,55,1.5,ddd,"12.4,5.3,1.5"
H,56,1.5,ddd,"12.9,12.4,3.2"
H,57,1.46,m,
H,58,1.46,m,
H,59,0.73,dd,"13.3,5.5"
H,60,0.94,s,
H,61,0.94,s,
H,62,0.94,s,
H,63,0.94,s,
H,64,0.94,s,
H,65,0.94,s,
H,66,3.32,dd,"10.0,6.3"
H,67,,,
H,68,1.66,m,
H,69,1.66,m,
H,70,1.29,ddd,"12.4,6.2,2.2"
H,71,1.29,ddd,"13.6,12.4,3.4"
H,72,0.83,s,
H,73,0.83,s,
H,74,0.83,s,
H,75,1.03,s,
H,76,1.03,s,
H,77,1.03,s,
H,78,1.65,ddd,"12.4,9.5,1.9"
H,79,1.65,ddd,"12.4,9.6,8.8"
H,80,2.31,ddd,"12.4,9.6,9.5"
H,81,2.31,ddd,"12.4,8.8,1.9"
