C,1,28.34,s,
C,2,30.64,s,
C,3,28.34,s,
C,4,32.9,s,
C,5,32.2,s,
C,6,45.7,s,
C,7,175.4,s,
O,8,,,
O,9,,,
C,10,93.3,s,
O,11,,,
C,12,78.59,s,
C,13,62.47,s,
O,14,,,
C,15,71.06,s,
O,16,,,
C,17,78.34,s,
O,18,,,
C,19,67.94,s,
O,20,,,
C,21,22.5,s,
C,22,27.8,s,
C,23,43.0,s,
C,24,26.0,s,
C,25,144.6,s,
C,26,123.4,s,
C,27,115.4,s,
C,28,155.3,s,
C,29,39.2,s,
C,30,21.2,s,
C,31,37.7,s,
C,32,28.5,s,
C,33,78.1,s,
O,34,,,
C,35,39.6,s,
C,36,22.5,s,
C,37,22.5,s,
C,38,51.8,s,
C,39,18.6,s,
C,40,32.5,s,
C,41,42.3,s,
C,42,21.3,s,
C,43,41.82,s,
C,44,45.86,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,51,2.25,ddd,"12.4,8.0,1.6"
H,52,2.25,ddd,"12.4,11.3,8.1"
H,53,1.82,ddd,"12.4,11.3,8.0"
H,54,1.82,ddd,"12.4,8.1,1.6"
H,55,6.34,d,9.1
H,56,3.93,td,"5.4,1.2"
H,57,4.04,d,5.4
H,58,4.04,d,5.4
H,59,,,
H,60,3.82,dd,"1.7,1.2"
H,61,,,
H,62,3.96,dd,"3.4,1.7"
H,63,,,
H,64,4.16,dd,"9.1,3.4"
H,65,,,
H,66,2.31,ddd,"12.4,4.5,3.1"
H,67,2.31,ddd,"13.3,12.4,4.1"
H,68,1.61,ddd,"13.3,12.4,3.1"
H,69,1.61,ddd,"12.4,4.5,4.1"
H,70,1.26,s,
H,71,1.26,s,
H,72,1.26,s,
H,73,6.88,s,
H,74,6.88,s,
H,75,0.95,s,
H,76,0.95,s,
H,77,0.95,s,
H,78,1.71,ddd,"13.5,12.4,4.8"
H,79,1.71,ddd,"12.4,4.3,3.7"
H,80,1.67,m,
H,81,1.67,m,
H,82,3.34,dd,"5.5,1.8"
H,83,,,
H,84,0.98,s,
H,85,0.98,s,
H,86,0.98,s,
H,87,0.98,s,
H,88,0.98,s,
H,89,0.98,s,
H,90,0.92,dd,"11.8,2.4"
H,91,1.69,m,
H,92,1.69,m,
H,93,1.72,ddd,"12.4,5.4,2.9"
H,94,1.72,ddd,"13.0,12.4,6.4"
H,95,1.26,s,
H,96,1.26,s,
H,97,1.26,s,
H,98,3.16,dd,"7.7,1.6"
H,99,1.58,dd,"12.4,1.6"
H,100,1.58,dd,"12.4,7.7"
