C,1,18.52,s,
C,2,35.16,s,
C,3,35.12,s,
C,4,76.51,s,
O,5,,,
C,6,109.5,s,
O,7,,,
C,8,78.54,s,
C,9,72.42,s,
C,10,25.27,s,
C,11,25.27,s,
O,12,,,
C,13,73.63,s,
O,14,,,
C,15,47.72,s,
C,16,17.01,s,
C,17,51.21,s,
C,18,23.21,s,
C,19,20.79,s,
C,20,47.9,s,
C,21,41.4,s,
C,22,20.96,s,
C,23,20.96,s,
C,24,88.1,s,
O,25,,,
C,26,107.46,s,
O,27,,,
C,28,66.98,s,
C,29,70.91,s,
O,30,,,
C,31,77.76,s,
O,32,,,
C,33,74.92,s,
O,34,,,
C,35,30.1,s,
C,36,32.2,s,
C,37,26.22,s,
C,38,29.97,s,
C,39,23.81,s,
C,40,26.31,s,
C,41,32.64,s,
C,42,43.99,s,
C,43,17.82,s,
C,44,50.05,s,
H,45,0.92,d,6.5
H,46,0.92,d,6.5
H,47,0.92,d,6.5
H,48,1.68,m,
H,49,1.88,ddd,"12.4,9.4,7.4"
H,50,1.88,ddd,"12.4,10.4,0.6"
H,51,4.61,ddd,"9.4,4.1,0.6"
H,52,4.76,d,4.1
H,53,1.33,s,
H,54,1.33,s,
H,55,1.33,s,
H,56,1.33,s,
H,57,1.33,s,
H,58,1.33,s,
H,59,,,
H,60,4.52,s,
H,61,,,
H,62,1.25,s,
H,63,1.25,s,
H,64,1.25,s,
H,65,1.77,dd,"10.9,8.4"
H,66,1.34,m,
H,67,1.34,m,
H,68,0.93,m,
H,69,0.93,m,
H,70,1.26,dd,"12.6,2.8"
H,71,1.14,s,
H,72,1.14,s,
H,73,1.14,s,
H,74,1.14,s,
H,75,1.14,s,
H,76,1.14,s,
H,77,3.47,dd,"11.5,6.5"
H,78,4.78,d,2.9
H,79,4.14,dd,"9.4,4.2"
H,80,4.14,dd,"9.4,1.9"
H,81,4.09,ddd,"6.8,4.2,1.9"
H,82,,,
H,83,4.04,dd,"6.8,0.7"
H,84,,,
H,85,3.92,dd,"2.9,0.7"
H,86,,,
H,87,2.34,m,
H,88,2.34,m,
H,89,1.54,ddd,"12.4,4.9,3.3"
H,90,1.54,ddd,"13.3,12.4,2.8"
H,91,0.46,s,
H,92,0.46,s,
H,93,1.7,ddd,"12.4,10.5,9.1"
H,94,1.7,ddd,"12.4,8.5,1.6"
H,95,2.01,ddd,"12.4,10.5,8.5"
H,96,2.01,ddd,"12.4,9.1,1.6"
H,97,1.02,s,
H,98,1.02,s,
H,99,1.02,s,
H,100,3.22,d,11.3
