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,19,40.7,s,
C,20,18.0,s,
C,21,33.06,s,
C,22,18.7,s,
C,23,56.3,s,
C,24,44.1,s,
C,25,23.1,s,
C,26,63.2,s,
O,27,,,
C,28,90.4,s,
O,29,,,
C,30,107.46,s,
O,31,,,
C,32,66.98,s,
C,33,70.91,s,
O,34,,,
C,35,77.76,s,
O,36,,,
C,37,74.92,s,
O,38,,,
C,39,26.5,s,
C,40,38.8,s,
C,41,36.6,s,
C,42,15.5,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,"12.4,10.4,10.0"
H,52,2.43,ddd,"12.4,7.9,0.8"
H,53,2.22,ddd,"12.4,10.4,7.9"
H,54,2.22,ddd,"12.4,10.0,0.8"
H,55,,,
H,56,5.22,dd,"5.4,2.6"
H,57,,,
H,58,2.06,dd,"12.4,5.4"
H,59,2.06,dd,"12.4,2.6"
H,60,1.18,s,
H,61,1.18,s,
H,62,1.18,s,
H,63,5.43,dd,"4.5,3.4"
H,64,2.0,ddd,"15.4,10.7,3.4"
H,65,2.0,ddd,"15.4,7.7,4.5"
H,66,1.82,dd,"10.7,7.7"
H,67,0.89,s,
H,68,0.89,s,
H,69,0.89,s,
H,70,1.49,ddd,"12.4,11.5,8.5"
H,71,1.49,ddd,"12.4,8.3,2.1"
H,72,1.52,m,
H,73,1.52,m,
H,74,1.76,dd,"12.5,3.9"
H,75,0.88,s,
H,76,0.88,s,
H,77,0.88,s,
H,78,4.28,s,
H,79,4.28,s,
H,80,,,
H,81,4.18,dd,"10.1,5.4"
H,82,4.7,d,5.4
H,83,4.14,dd,"9.4,8.1"
H,84,4.14,dd,"9.4,8.8"
H,85,4.09,ddd,"8.8,8.1,5.1"
H,86,,,
H,87,4.04,dd,"5.1,1.3"
H,88,,,
H,89,3.92,dd,"5.4,1.3"
H,90,,,
H,91,2.06,m,
H,92,2.06,m,
H,93,1.97,ddd,"12.4,7.6,1.9"
H,94,1.97,ddd,"12.4,12.1,6.8"
H,95,0.9,s,
H,96,0.9,s,
H,97,0.9,s,
H,98,3.59,dd,"11.6,2.4"
H,99,2.82,dd,"12.4,11.6"
H,100,2.82,dd,"12.4,2.4"
