C,1,21.0,s,
C,2,26.0,s,
C,3,36.7,s,
C,4,105.9,s,
O,5,,,
C,6,68.8,s,
C,7,63.3,s,
C,8,13.8,s,
O,9,,,
C,10,63.3,s,
O,11,,,
C,12,74.3,s,
C,13,44.32,s,
C,14,43.99,s,
C,15,17.82,s,
C,16,49.59,s,
C,17,22.07,s,
C,18,20.56,s,
C,19,47.9,s,
C,20,41.4,s,
C,21,20.96,s,
C,22,20.96,s,
C,23,88.1,s,
O,24,,,
C,25,107.46,s,
O,26,,,
C,27,66.98,s,
C,28,70.91,s,
O,29,,,
C,30,77.76,s,
O,31,,,
C,32,74.92,s,
O,33,,,
C,34,30.1,s,
C,35,32.2,s,
C,36,26.55,s,
C,37,29.97,s,
C,38,20.54,s,
C,39,26.31,s,
C,40,33.8,s,
C,41,47.5,s,
C,42,18.5,s,
C,43,54.73,s,
H,44,0.98,d,6.5
H,45,0.98,d,6.5
H,46,0.98,d,6.5
H,47,2.01,m,
H,48,1.89,dd,"12.4,1.1"
H,49,1.89,dd,"12.4,9.1"
H,50,4.0,s,
H,51,4.0,s,
H,52,1.46,s,
H,53,1.46,s,
H,54,1.46,s,
H,55,3.88,s,
H,56,4.38,ddd,"11.7,9.1,7.1"
H,57,2.2,dd,"12.4,7.1"
H,58,2.2,dd,"12.4,11.7"
H,59,0.99,s,
H,60,0.99,s,
H,61,0.99,s,
H,62,1.63,dd,"13.0,5.4"
H,63,1.01,m,
H,64,1.01,m,
H,65,1.29,m,
H,66,1.29,m,
H,67,1.26,dd,"12.7,3.8"
H,68,1.14,s,
H,69,1.14,s,
H,70,1.14,s,
H,71,1.14,s,
H,72,1.14,s,
H,73,1.14,s,
H,74,3.47,dd,"6.4,1.7"
H,75,4.78,d,7.0
H,76,4.14,dd,"9.4,2.9"
H,77,4.14,dd,"9.4,8.2"
H,78,4.09,ddd,"8.2,3.7,2.9"
H,79,,,
H,80,4.04,dd,"3.7,0.6"
H,81,,,
H,82,3.92,dd,"7.0,0.6"
H,83,,,
H,84,2.34,m,
H,85,2.34,m,
H,86,1.54,ddd,"12.4,4.1,3.5"
H,87,1.54,ddd,"13.5,12.4,5.3"
H,88,0.46,s,
H,89,0.46,s,
H,90,1.7,ddd,"12.4,12.0,2.9"
H,91,1.7,ddd,"12.4,12.0,3.6"
H,92,1.67,ddd,"12.4,12.0,3.6"
H,93,1.67,ddd,"12.4,12.0,2.9"
H,94,0.95,s,
H,95,0.95,s,
H,96,0.95,s,
H,97,1.86,dd,"9.1,1.4"
