C,1,21.42,s,
C,2,26.6,s,
C,3,21.42,s,
C,4,146.87,s,
C,5,133.0,s,
C,6,132.07,s,
C,7,151.34,s,
O,8,,,
C,9,182.5,s,
O,10,,,
C,11,60.77,s,
C,12,34.0,s,
C,13,27.27,s,
C,14,27.27,s,
C,15,41.24,s,
C,16,18.74,s,
C,17,36.21,s,
C,18,39.31,s,
C,19,22.12,s,
C,20,156.3,s,
C,21,135.8,s,
C,22,135.8,s,
C,23,156.3,s,
C,24,132.07,s,
C,25,151.34,s,
O,26,,,
C,27,182.5,s,
O,28,,,
C,29,60.77,s,
C,30,34.0,s,
C,31,27.27,s,
C,32,27.27,s,
C,33,41.24,s,
C,34,18.74,s,
C,35,36.21,s,
C,36,39.31,s,
C,37,22.12,s,
C,38,133.0,s,
C,39,146.87,s,
C,40,26.6,s,
C,41,21.42,s,
C,42,21.42,s,
C,43,183.73,s,
O,44,,,
C,45,183.73,s,
O,46,,,
H,47,1.13,d,6.7
H,48,1.13,d,6.7
H,49,1.13,d,6.7
H,50,3.03,m,6.7
H,51,1.13,d,6.7
H,52,1.13,d,6.7
H,53,1.13,d,6.7
H,54,7.39,s,
H,55,,,
H,56,2.97,s,
H,57,1.0,s,
H,58,1.0,s,
H,59,1.0,s,
H,60,1.0,s,
H,61,1.0,s,
H,62,1.0,s,
H,63,1.28,ddd,"12.4,11.4,5.0"
H,64,1.28,ddd,"12.4,11.1,1.1"
H,65,1.56,m,
H,66,1.56,m,
H,67,1.77,ddd,"12.4,12.0,1.7"
H,68,1.77,ddd,"12.4,11.5,7.2"
H,69,1.19,s,
H,70,1.19,s,
H,71,1.19,s,
H,72,,,
H,73,2.97,s,
H,74,1.0,s,
H,75,1.0,s,
H,76,1.0,s,
H,77,1.0,s,
H,78,1.0,s,
H,79,1.0,s,
H,80,1.28,ddd,"12.4,10.4,1.8"
H,81,1.28,ddd,"12.4,12.1,4.1"
H,82,1.56,m,
H,83,1.56,m,
H,84,1.77,ddd,"12.6,12.4,4.4"
H,85,1.77,ddd,"12.4,4.3,2.9"
H,86,1.19,s,
H,87,1.19,s,
H,88,1.19,s,
H,89,7.39,s,
H,90,3.03,m,6.7
H,91,1.13,d,6.7
H,92,1.13,d,6.7
H,93,1.13,d,6.7
H,94,1.13,d,6.7
H,95,1.13,d,6.7
H,96,1.13,d,6.7
