C,1,15.4,s,
S,2,,,
C,3,70.72,s,
O,4,,,
C,5,76.9,s,
C,6,76.51,s,
O,7,,,
C,8,70.72,s,
S,9,,,
C,10,15.4,s,
C,11,42.83,s,
C,12,38.35,s,
C,13,17.05,s,
C,14,54.35,s,
C,15,18.17,s,
C,16,32.72,s,
C,17,40.4,s,
C,18,16.8,s,
C,19,47.45,s,
C,20,23.77,s,
C,21,127.6,s,
C,22,140.1,s,
C,23,54.6,s,
C,24,48.3,s,
C,25,180.6,s,
O,26,,,
O,27,,,
C,28,38.5,s,
C,29,26.9,s,
C,30,42.4,s,
C,31,16.35,s,
C,32,72.65,s,
C,33,27.1,s,
O,34,,,
C,35,26.3,s,
C,36,29.3,s,
C,37,42.2,s,
C,38,24.65,s,
C,39,38.35,s,
C,40,23.4,s,
C,41,23.4,s,
H,42,2.15,s,
H,43,2.15,s,
H,44,2.15,s,
H,45,4.57,s,
H,46,4.57,s,
H,47,4.77,d,7.6
H,48,4.61,ddd,"10.6,8.0,7.6"
H,49,4.57,s,
H,50,4.57,s,
H,51,2.15,s,
H,52,2.15,s,
H,53,2.15,s,
H,54,2.1,dd,"12.4,10.6"
H,55,2.1,dd,"12.4,8.0"
H,56,1.4,s,
H,57,1.4,s,
H,58,1.4,s,
H,59,1.07,dd,"12.4,4.4"
H,60,1.46,m,
H,61,1.46,dtd,"13.6,12.4,2.0"
H,62,1.49,ddd,"13.6,12.4,3.8"
H,63,1.49,ddd,"12.4,5.7,2.0"
H,64,1.08,s,
H,65,1.08,s,
H,66,1.08,s,
H,67,1.63,dd,"11.0,7.6"
H,68,2.05,ddd,"15.4,7.6,5.1"
H,69,2.05,ddd,"15.4,11.0,2.8"
H,70,5.52,dd,"5.1,2.8"
H,71,3.05,s,
H,72,,,
H,73,1.72,ddd,"14.2,12.4,3.4"
H,74,1.72,ddd,"12.4,5.2,2.6"
H,75,1.77,m,
H,76,1.77,m,
H,77,1.19,dqd,"9.3,6.6,0.5"
H,78,1.05,d,6.6
H,79,1.05,d,6.6
H,80,1.05,d,6.6
H,81,1.3,s,
H,82,1.3,s,
H,83,1.3,s,
H,84,,,
H,85,3.16,ddd,"12.4,11.0,1.1"
H,86,3.16,ddd,"12.4,10.4,7.1"
H,87,1.65,ddd,"12.4,11.0,7.1"
H,88,1.65,ddd,"12.4,10.4,1.1"
H,89,1.41,s,
H,90,1.41,s,
H,91,1.41,s,
H,92,1.14,s,
H,93,1.14,s,
H,94,1.14,s,
H,95,1.14,s,
H,96,1.14,s,
H,97,1.14,s,
