C,1,49.34,s,
O,2,,,
C,3,80.57,s,
C,4,22.88,s,
C,5,22.88,s,
C,6,78.54,s,
O,7,,,
C,8,108.09,s,
C,9,41.74,s,
C,10,43.99,s,
C,11,17.82,s,
C,12,47.6,s,
C,13,26.5,s,
C,14,20.56,s,
C,15,47.9,s,
C,16,41.4,s,
C,17,20.96,s,
C,18,20.96,s,
C,19,88.1,s,
O,20,,,
C,21,107.46,s,
O,22,,,
C,23,66.98,s,
C,24,70.91,s,
O,25,,,
C,26,77.76,s,
O,27,,,
C,28,74.92,s,
O,29,,,
C,30,30.1,s,
C,31,32.2,s,
C,32,26.55,s,
C,33,29.97,s,
C,34,20.54,s,
C,35,26.31,s,
C,36,32.64,s,
C,37,43.99,s,
C,38,17.82,s,
C,39,50.05,s,
C,40,35.16,s,
C,41,18.52,s,
C,42,35.12,s,
C,43,76.51,s,
O,44,,,
H,45,3.31,s,
H,46,3.31,s,
H,47,3.31,s,
H,48,1.35,s,
H,49,1.35,s,
H,50,1.35,s,
H,51,1.35,s,
H,52,1.35,s,
H,53,1.35,s,
H,54,4.76,d,2.8
H,55,2.54,s,
H,56,2.54,s,
H,57,1.02,s,
H,58,1.02,s,
H,59,1.02,s,
H,60,1.74,dd,"12.9,6.3"
H,61,1.01,m,
H,62,1.01,m,
H,63,1.29,m,
H,64,1.29,m,
H,65,1.26,dd,"11.3,2.1"
H,66,1.14,s,
H,67,1.14,s,
H,68,1.14,s,
H,69,1.14,s,
H,70,1.14,s,
H,71,1.14,s,
H,72,3.47,dd,"9.5,1.7"
H,73,4.78,d,5.9
H,74,4.14,dd,"11.1,9.4"
H,75,4.14,dd,"9.4,4.0"
H,76,4.09,ddd,"11.1,7.0,4.0"
H,77,,,
H,78,4.04,dd,"7.3,7.0"
H,79,,,
H,80,3.92,dd,"7.3,5.9"
H,81,,,
H,82,2.34,m,
H,83,2.34,m,
H,84,1.54,ddd,"12.4,4.6,2.5"
H,85,1.54,ddd,"14.3,12.4,2.9"
H,86,0.46,s,
H,87,0.46,s,
H,88,1.7,ddd,"12.4,11.8,4.6"
H,89,1.7,ddd,"12.4,11.7,2.9"
H,90,2.01,ddd,"12.4,11.8,2.9"
H,91,2.01,ddd,"12.4,11.7,4.6"
H,92,1.02,s,
H,93,1.02,s,
H,94,1.02,s,
H,95,3.22,d,11.4
H,96,1.68,tdq,"11.4,6.7,6.5"
H,97,0.92,d,6.5
H,98,0.92,d,6.5
H,99,0.92,d,6.5
H,100,1.88,ddd,"12.4,11.4,1.1"
H,101,1.88,ddd,"12.4,8.5,6.7"
H,102,4.61,ddd,"8.5,2.8,1.1"
