C,1,20.86,s,
C,2,170.74,s,
O,3,,,
O,4,,,
C,5,72.44,s,
C,6,42.43,s,
C,7,25.54,s,
C,8,35.28,s,
C,9,37.32,s,
C,10,38.37,s,
C,11,22.87,s,
C,12,37.32,s,
C,13,27.77,s,
C,14,49.26,s,
C,15,21.07,s,
C,16,146.03,s,
C,17,143.15,s,
C,18,20.52,s,
C,19,31.35,s,
C,20,43.99,s,
C,21,17.82,s,
C,22,48.53,s,
C,23,42.11,s,
C,24,37.09,s,
C,25,19.77,s,
C,26,36.2,s,
C,27,24.85,s,
C,28,80.45,s,
O,29,,,
C,30,165.34,s,
O,31,,,
C,32,129.57,s,
C,33,129.87,s,
C,34,128.88,s,
C,35,133.32,s,
C,36,128.88,s,
C,37,129.87,s,
C,38,39.26,s,
C,39,22.07,s,
C,40,22.07,s,
C,41,48.76,s,
C,42,43.37,s,
C,43,,,
O,44,,,
H,45,2.07,s,
H,46,2.07,s,
H,47,2.07,s,
H,48,4.13,s,
H,49,4.13,s,
H,50,1.13,s,
H,51,1.13,s,
H,52,1.13,s,
H,53,1.72,ddd,"12.4,10.5,7.8"
H,54,1.72,ddd,"12.4,9.4,1.2"
H,55,1.49,ddd,"12.4,7.8,1.2"
H,56,1.49,ddd,"12.4,10.5,9.4"
H,57,1.05,s,
H,58,1.05,s,
H,59,1.05,s,
H,60,1.49,ddd,"12.5,12.4,4.6"
H,61,1.49,ddd,"12.4,6.5,3.0"
H,62,1.61,ddd,"12.5,12.4,6.5"
H,63,1.61,ddd,"12.4,4.6,3.0"
H,64,0.99,s,
H,65,0.99,s,
H,66,0.99,s,
H,67,2.1,ddd,"15.4,9.6,6.9"
H,68,2.1,ddd,"15.4,11.1,1.5"
H,69,1.96,ddd,"12.4,11.1,6.9"
H,70,1.96,ddd,"12.4,9.6,1.5"
H,71,1.02,s,
H,72,1.02,s,
H,73,1.02,s,
H,74,1.5,dd,"12.9,4.5"
H,75,2.04,dd,"12.9,12.4"
H,76,2.04,dd,"12.4,4.5"
H,77,1.1,s,
H,78,1.1,s,
H,79,1.1,s,
H,80,1.71,ddd,"12.4,4.8,3.8"
H,81,1.71,ddd,"12.6,12.4,7.8"
H,82,1.83,m,
H,83,1.83,m,
H,84,4.56,dd,"11.0,5.2"
H,85,8.03,m,
H,86,7.46,m,
H,87,7.57,ddt,"7.6,6.6,1.4"
H,88,7.46,m,
H,89,8.03,m,
H,90,1.07,s,
H,91,1.07,s,
H,92,1.07,s,
H,93,1.07,s,
H,94,1.07,s,
H,95,1.07,s,
H,96,2.11,dd,"11.7,2.1"
H,97,2.89,dd,"15.4,11.7"
H,98,2.89,dd,"15.4,2.1"
