C,1,28.35,s,
C,2,30.0,s,
C,3,28.35,s,
C,4,34.5,s,
C,5,30.7,s,
C,6,44.5,s,
C,7,180.49,s,
O,8,,,
O,9,,,
C,10,72.0,s,
O,11,,,
C,12,34.4,s,
C,13,42.5,s,
C,14,27.1,s,
C,15,142.5,s,
C,16,121.8,s,
C,17,23.99,s,
C,18,47.78,s,
C,19,36.6,s,
C,20,15.5,s,
C,21,38.8,s,
C,22,26.5,s,
C,23,90.4,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,34,44.1,s,
C,35,23.1,s,
C,36,63.2,s,
O,37,,,
C,38,56.3,s,
C,39,18.7,s,
C,40,33.06,s,
C,41,40.7,s,
C,42,18.0,s,
C,43,39.8,s,
C,44,45.8,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,51,2.43,ddd,"12.4,10.4,9.4"
H,52,2.43,ddd,"12.4,8.5,1.4"
H,53,2.22,ddd,"12.4,9.4,8.5"
H,54,2.22,ddd,"12.4,10.4,1.4"
H,55,,,
H,56,5.22,dd,"3.7,3.6"
H,57,,,
H,58,2.06,dd,"12.4,3.7"
H,59,2.06,dd,"12.4,3.6"
H,60,1.18,s,
H,61,1.18,s,
H,62,1.18,s,
H,63,5.43,dd,"4.3,3.2"
H,64,2.0,ddd,"15.4,11.6,3.2"
H,65,2.0,ddd,"15.4,8.1,4.3"
H,66,1.82,dd,"11.6,8.1"
H,67,0.9,s,
H,68,0.9,s,
H,69,0.9,s,
H,70,1.97,ddd,"12.4,10.2,1.7"
H,71,1.97,ddd,"12.4,10.4,7.6"
H,72,2.06,m,
H,73,2.06,m,
H,74,4.18,dd,"8.7,1.8"
H,75,4.7,d,6.4
H,76,4.14,dd,"9.4,4.6"
H,77,4.14,dd,"11.1,9.4"
H,78,4.09,ddd,"11.1,6.9,4.6"
H,79,,,
H,80,4.04,dd,"9.3,6.9"
H,81,,,
H,82,3.92,dd,"9.3,6.4"
H,83,,,
H,84,0.88,s,
H,85,0.88,s,
H,86,0.88,s,
H,87,4.28,s,
H,88,4.28,s,
H,89,,,
H,90,1.76,dd,"11.0,6.9"
H,91,1.52,m,
H,92,1.52,m,
H,93,1.49,ddd,"12.4,12.3,2.1"
H,94,1.49,ddd,"12.4,11.6,5.1"
H,95,0.89,s,
H,96,0.89,s,
H,97,0.89,s,
H,98,3.59,dd,"13.1,3.4"
H,99,2.82,dd,"12.4,3.4"
H,100,2.82,dd,"13.1,12.4"
