C,1,18.52,s,
C,2,35.16,s,
C,3,35.12,s,
C,4,76.51,s,
O,5,,,
C,6,108.09,s,
C,7,41.74,s,
C,8,43.99,s,
C,9,17.82,s,
C,10,54.99,s,
C,11,67.3,s,
O,12,,,
C,13,35.12,s,
C,14,49.45,s,
C,15,39.26,s,
C,16,22.07,s,
C,17,22.07,s,
C,18,89.1,s,
O,19,,,
C,20,107.46,s,
O,21,,,
C,22,66.98,s,
C,23,70.91,s,
O,24,,,
C,25,77.76,s,
O,26,,,
C,27,74.92,s,
O,28,,,
C,29,29.85,s,
C,30,31.88,s,
C,31,23.81,s,
C,32,28.65,s,
C,33,21.2,s,
C,34,27.6,s,
C,35,32.64,s,
C,36,43.99,s,
C,37,17.82,s,
C,38,50.05,s,
O,39,,,
C,40,78.54,s,
C,41,72.42,s,
C,42,25.27,s,
C,43,25.27,s,
O,44,,,
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,"12.4,1.7,1.1"
H,50,1.88,ddd,"12.4,8.6,6.9"
H,51,4.61,ddd,"6.9,2.4,1.1"
H,52,2.54,s,
H,53,2.54,s,
H,54,1.02,s,
H,55,1.02,s,
H,56,1.02,s,
H,57,2.65,d,7.4
H,58,4.19,ddd,"9.8,7.4,3.1"
H,59,,,
H,60,1.88,ddd,"12.4,9.8,8.6"
H,61,1.88,ddd,"12.4,8.7,3.1"
H,62,1.33,dd,"8.7,8.6"
H,63,1.07,s,
H,64,1.07,s,
H,65,1.07,s,
H,66,1.07,s,
H,67,1.07,s,
H,68,1.07,s,
H,69,3.4,dd,"11.8,6.4"
H,70,4.78,d,4.5
H,71,4.14,dd,"9.4,2.1"
H,72,4.14,dd,"9.4,8.0"
H,73,4.09,ddd,"8.0,3.8,2.1"
H,74,,,
H,75,4.04,dd,"6.1,3.8"
H,76,,,
H,77,3.92,dd,"6.1,4.5"
H,78,,,
H,79,2.34,m,
H,80,2.34,m,
H,81,1.54,ddd,"13.5,12.4,3.7"
H,82,1.54,ddd,"12.4,5.1,1.3"
H,83,0.62,s,
H,84,0.62,s,
H,85,2.25,td,"12.4,5.6"
H,86,2.25,ddd,"12.4,5.8,4.1"
H,87,2.01,td,"12.4,5.8"
H,88,2.01,ddd,"12.4,5.6,4.1"
H,89,1.02,s,
H,90,1.02,s,
H,91,1.02,s,
H,92,3.22,d,6.0
H,93,4.76,d,2.4
H,94,1.33,s,
H,95,1.33,s,
H,96,1.33,s,
H,97,1.33,s,
H,98,1.33,s,
H,99,1.33,s,
H,100,,,
