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,17,47.45,s,
C,18,38.5,s,
C,19,16.9,s,
C,20,46.6,s,
C,21,68.7,s,
O,22,,,
C,23,83.6,s,
O,24,,,
C,25,39.6,s,
C,26,28.8,s,
C,27,65.9,s,
O,28,,,
C,29,168.1,s,
O,30,,,
C,31,116.53,s,
C,32,144.3,s,
C,33,126.43,s,
C,34,131.21,s,
C,35,116.13,s,
C,36,159.17,s,
O,37,,,
C,38,116.13,s,
C,39,131.21,s,
C,40,55.7,s,
C,41,18.5,s,
C,42,33.41,s,
C,43,39.8,s,
C,44,17.6,s,
C,45,41.8,s,
C,46,46.31,s,
H,47,0.94,s,
H,48,0.94,s,
H,49,0.94,s,
H,50,0.94,s,
H,51,0.94,s,
H,52,0.94,s,
H,53,1.34,ddd,"12.4,8.1,1.5"
H,54,1.34,ddd,"12.4,10.0,9.1"
H,55,1.73,ddd,"12.4,9.1,1.5"
H,56,1.73,ddd,"12.4,10.0,8.1"
H,57,,,
H,58,1.89,ddd,"12.4,7.3,2.3"
H,59,1.89,ddd,"12.4,11.6,7.1"
H,60,1.65,ddd,"12.4,7.1,2.3"
H,61,1.65,ddd,"12.4,11.6,7.3"
H,62,1.27,s,
H,63,1.27,s,
H,64,1.27,s,
H,65,5.43,dd,"6.1,2.6"
H,66,2.03,ddd,"15.4,12.5,2.6"
H,67,2.03,ddd,"15.4,6.1,1.8"
H,68,1.63,dd,"12.5,1.8"
H,69,1.5,s,
H,70,1.5,s,
H,71,1.5,s,
H,72,2.21,dd,"12.4,9.8"
H,73,2.21,dd,"12.4,1.6"
H,74,3.59,ddd,"9.8,3.7,1.6"
H,75,,,
H,76,4.13,d,3.7
H,77,,,
H,78,1.24,s,
H,79,1.24,s,
H,80,1.24,s,
H,81,4.6,s,
H,82,4.6,s,
H,83,6.23,d,12.0
H,84,7.47,d,12.0
H,85,7.39,ddd,"9.1,1.9,0.5"
H,86,6.79,ddd,"9.1,1.9,0.5"
H,87,,,
H,88,6.79,ddd,"7.0,1.9,0.5"
H,89,7.39,ddd,"7.0,1.9,0.5"
H,90,1.76,dd,"12.5,3.9"
H,91,1.52,m,
H,92,1.52,m,
H,93,1.47,ddd,"12.8,12.4,6.8"
H,94,1.47,ddd,"12.4,7.1,2.5"
H,95,1.08,s,
H,96,1.08,s,
H,97,1.08,s,
H,98,3.25,dd,"12.8,3.5"
H,99,1.58,dd,"12.4,3.5"
H,100,1.58,dd,"12.8,12.4"
