C,1,55.7,s,
O,2,,,
C,3,109.7,s,
O,4,,,
C,5,75.95,s,
C,6,74.89,s,
O,7,,,
C,8,81.7,s,
C,9,17.8,s,
C,10,65.9,s,
O,11,,,
O,12,,,
C,13,51.75,s,
C,14,33.1,s,
C,15,46.35,s,
C,16,50.54,s,
C,17,28.16,s,
C,18,35.28,s,
C,19,41.86,s,
C,20,30.5,s,
C,21,23.43,s,
C,22,35.28,s,
C,23,20.49,s,
C,24,51.21,s,
C,25,37.67,s,
C,26,16.8,s,
C,27,38.62,s,
C,28,23.94,s,
C,29,80.49,s,
O,30,,,
C,31,173.13,s,
O,32,,,
C,33,43.85,s,
C,34,25.98,s,
C,35,23.23,s,
C,36,23.23,s,
C,37,39.26,s,
C,38,22.07,s,
C,39,22.07,s,
C,40,51.21,s,
C,41,35.12,s,
C,42,75.84,s,
O,43,,,
C,44,47.72,s,
C,45,17.01,s,
H,46,3.32,s,
H,47,3.32,s,
H,48,3.32,s,
H,49,5.23,d,3.7
H,50,4.61,ddd,"10.6,7.8,4.8"
H,51,4.12,d,4.8
H,52,,,
H,53,1.39,s,
H,54,1.39,s,
H,55,1.39,s,
H,56,3.77,s,
H,57,3.77,s,
H,58,,,
H,59,3.31,s,
H,60,3.31,s,
H,61,3.31,s,
H,62,1.88,ddd,"12.4,9.9,7.8"
H,63,1.88,ddd,"12.4,10.6,8.6"
H,64,1.7,m,
H,65,1.61,ddd,"10.6,5.7,3.1"
H,66,1.58,m,
H,67,1.58,m,
H,68,1.72,ddd,"12.4,10.9,2.2"
H,69,1.72,ddd,"12.4,11.3,6.1"
H,70,2.05,s,
H,71,2.05,s,
H,72,1.72,ddd,"12.4,10.7,6.5"
H,73,1.72,ddd,"12.4,11.0,1.8"
H,74,1.63,m,
H,75,1.63,m,
H,76,1.57,dd,"10.3,7.9"
H,77,1.15,s,
H,78,1.15,s,
H,79,1.15,s,
H,80,1.35,ddd,"12.4,6.8,2.6"
H,81,1.35,ddd,"12.7,12.4,5.8"
H,82,1.63,m,
H,83,1.63,m,
H,84,4.51,dd,"9.9,3.0"
H,85,2.29,d,6.0
H,86,2.29,d,6.0
H,87,2.17,m,"6.4,6.0"
H,88,0.98,d,6.4
H,89,0.98,d,6.4
H,90,0.98,d,6.4
H,91,0.98,d,6.4
H,92,0.98,d,6.4
H,93,0.98,d,6.4
H,94,1.07,s,
H,95,1.07,s,
H,96,1.07,s,
H,97,1.07,s,
H,98,1.07,s,
H,99,1.07,s,
H,100,1.26,dd,"13.1,3.9"
H,101,1.88,ddd,"13.1,12.4,4.2"
H,102,1.88,ddd,"12.4,3.9,2.5"
H,103,4.12,dd,"4.2,2.5"
H,104,,,
H,105,1.25,s,
H,106,1.25,s,
H,107,1.25,s,
