C,1,57.01,s,
O,2,,,
C,3,78.54,s,
C,4,130.07,s,
C,5,149.11,s,
C,6,55.05,s,
C,7,39.08,s,
C,8,16.96,s,
C,9,39.02,s,
C,10,21.2,s,
C,11,31.04,s,
C,12,35.28,s,
C,13,45.1,s,
C,14,61.77,s,
O,15,,,
C,16,29.4,s,
C,17,27.77,s,
C,18,42.15,s,
C,19,24.21,s,
C,20,43.99,s,
C,21,17.82,s,
C,22,33.77,s,
C,23,18.17,s,
C,24,54.35,s,
C,25,38.71,s,
C,26,22.42,s,
C,27,22.42,s,
C,28,78.44,s,
O,29,,,
C,30,27.31,s,
C,31,38.2,s,
C,32,41.58,s,
C,33,13.76,s,
C,34,54.99,s,
H,35,3.2,s,
H,36,3.2,s,
H,37,3.2,s,
H,38,5.13,dd,"12.3,2.8"
H,39,5.77,d,2.8
H,40,2.79,d,4.3
H,41,1.39,qdd,"6.6,4.3,2.2"
H,42,0.8,d,6.6
H,43,0.8,d,6.6
H,44,0.8,d,6.6
H,45,0.95,m,
H,46,0.95,d,6.5
H,47,0.95,d,6.5
H,48,0.95,d,6.5
H,49,1.61,m,
H,50,1.61,m,
H,51,1.72,ddd,"12.4,12.1,5.8"
H,52,1.72,ddd,"12.4,8.4,1.4"
H,53,3.84,s,
H,54,3.84,s,
H,55,,,
H,56,2.0,ddd,"12.4,10.4,9.1"
H,57,2.0,ddd,"12.4,8.5,2.0"
H,58,1.61,ddd,"12.4,9.1,8.5"
H,59,1.61,ddd,"12.4,10.4,2.0"
H,60,1.31,s,
H,61,1.31,s,
H,62,1.31,s,
H,63,1.02,s,
H,64,1.02,s,
H,65,1.02,s,
H,66,1.59,ddd,"12.4,5.0,4.8"
H,67,1.59,ddd,"13.2,12.4,5.4"
H,68,1.46,m,
H,69,1.46,m,
H,70,1.07,dd,"9.9,9.6"
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,76,0.94,s,
H,77,3.32,dd,"9.7,5.9"
H,78,,,
H,79,1.69,m,
H,80,1.69,m,
H,81,1.72,ddd,"12.4,8.3,1.7"
H,82,1.72,ddd,"12.4,9.1,9.0"
H,83,0.74,s,
H,84,0.74,s,
H,85,0.74,s,
H,86,2.65,d,12.3
