C,1,28.34,s,
C,2,30.8,s,
C,3,28.34,s,
C,4,33.93,s,
C,5,32.65,s,
C,6,46.27,s,
C,7,181.68,s,
O,8,,,
O,9,,,
C,10,23.23,s,
C,11,28.0,s,
C,12,42.3,s,
C,13,26.08,s,
C,14,144.41,s,
C,15,122.0,s,
C,16,24.0,s,
C,17,47.2,s,
C,18,38.2,s,
C,19,17.2,s,
C,20,48.4,s,
C,21,68.8,s,
O,22,,,
C,23,77.0,s,
O,24,,,
C,25,106.26,s,
O,26,,,
C,27,66.93,s,
C,28,70.91,s,
O,29,,,
C,30,77.4,s,
O,31,,,
C,32,74.57,s,
O,33,,,
C,34,43.7,s,
C,35,14.9,s,
C,36,64.7,s,
O,37,,,
C,38,48.1,s,
C,39,18.3,s,
C,40,33.4,s,
C,41,39.8,s,
C,42,17.6,s,
C,43,41.8,s,
C,44,46.31,s,
H,45,0.94,s,
H,46,0.94,s,
H,47,0.94,s,
H,48,0.94,s,
H,49,0.94,s,
H,50,0.94,s,
H,51,1.34,ddd,"12.4,9.8,9.2"
H,52,1.34,ddd,"12.4,9.3,1.3"
H,53,1.73,ddd,"12.4,9.3,9.2"
H,54,1.73,ddd,"12.4,9.8,1.3"
H,55,,,
H,56,1.89,ddd,"12.4,5.2,3.4"
H,57,1.89,ddd,"13.7,12.4,3.8"
H,58,1.65,ddd,"13.7,12.4,5.2"
H,59,1.65,ddd,"12.4,3.8,3.4"
H,60,1.27,s,
H,61,1.27,s,
H,62,1.27,s,
H,63,5.43,dd,"4.4,3.2"
H,64,2.03,ddd,"15.4,13.0,3.2"
H,65,2.03,ddd,"15.4,5.2,4.4"
H,66,1.63,dd,"13.0,5.2"
H,67,1.5,s,
H,68,1.5,s,
H,69,1.5,s,
H,70,2.21,dd,"12.4,2.1"
H,71,2.21,dd,"12.4,5.0"
H,72,4.73,ddd,"7.6,5.0,2.1"
H,73,,,
H,74,4.24,d,7.6
H,75,4.8,d,3.4
H,76,4.14,dd,"9.4,2.7"
H,77,4.14,dd,"9.4,1.7"
H,78,4.09,td,"2.7,1.7"
H,79,,,
H,80,4.04,dd,"3.9,2.7"
H,81,,,
H,82,4.01,dd,"3.9,3.4"
H,83,,,
H,84,1.39,s,
H,85,1.39,s,
H,86,1.39,s,
H,87,4.24,s,
H,88,4.24,s,
H,89,,,
H,90,1.76,dd,"10.6,7.2"
H,91,1.52,m,
H,92,1.52,tdd,"12.4,10.6,7.2"
H,93,1.47,ddd,"12.4,7.2,3.3"
H,94,1.47,td,"12.4,5.6"
H,95,1.08,s,
H,96,1.08,s,
H,97,1.08,s,
H,98,3.25,dd,"12.5,2.6"
H,99,1.58,dd,"12.5,12.4"
H,100,1.58,dd,"12.4,2.6"
