C,1,29.4,s,
N,2,,,
C,3,151.99,s,
C,4,110.34,s,
C,5,134.76,s,
C,6,120.26,s,
C,7,130.89,s,
C,8,115.59,s,
C,9,169.15,s,
O,10,,,
O,11,,,
C,12,80.45,s,
C,13,24.01,s,
C,14,38.18,s,
C,15,37.17,s,
C,16,17.14,s,
C,17,51.21,s,
C,18,27.0,s,
C,19,75.84,s,
O,20,,,
C,21,44.4,s,
C,22,27.3,s,
C,23,159.3,s,
C,24,118.0,s,
C,25,34.8,s,
C,26,52.2,s,
C,27,41.92,s,
C,28,35.12,s,
C,29,70.48,s,
O,30,,,
C,31,78.54,s,
O,32,,,
C,33,102.94,s,
O,34,,,
C,35,80.57,s,
C,36,22.88,s,
C,37,22.88,s,
C,38,39.94,s,
C,39,20.6,s,
C,40,37.39,s,
C,41,18.92,s,
C,42,48.76,s,
C,43,39.26,s,
C,44,22.07,s,
C,45,22.07,s,
H,46,2.77,s,
H,47,2.77,s,
H,48,2.77,s,
H,49,,,
H,50,7.15,ddd,"7.3,1.4,0.5"
H,51,7.22,ddd,"9.1,7.3,1.4"
H,52,7.43,ddd,"9.1,6.4,1.4"
H,53,7.93,ddd,"6.4,1.4,0.5"
H,54,4.56,dd,"10.3,4.0"
H,55,1.84,m,
H,56,1.84,m,
H,57,1.32,ddd,"12.4,11.2,6.8"
H,58,1.32,ddd,"12.4,8.7,2.2"
H,59,0.89,s,
H,60,0.89,s,
H,61,0.89,s,
H,62,1.26,dd,"11.3,3.8"
H,63,1.88,ddd,"12.4,7.8,3.8"
H,64,1.88,ddd,"12.4,11.3,9.3"
H,65,4.12,dd,"9.3,7.8"
H,66,,,
H,67,1.25,s,
H,68,1.25,s,
H,69,1.25,s,
H,70,5.3,dd,"5.3,2.6"
H,71,2.63,ddd,"13.4,12.4,2.6"
H,72,2.63,ddd,"12.4,5.4,5.3"
H,73,1.61,ddd,"13.4,5.7,5.4"
H,74,1.7,m,
H,75,1.88,td,"12.4,10.4"
H,76,1.88,ddd,"12.4,6.9,6.6"
H,77,4.17,ddd,"10.4,6.6,0.6"
H,78,,,
H,79,4.76,d,0.6
H,80,5.23,d,1.1
H,81,1.35,s,
H,82,1.35,s,
H,83,1.35,s,
H,84,1.35,s,
H,85,1.35,s,
H,86,1.35,s,
H,87,1.01,s,
H,88,1.01,s,
H,89,1.01,s,
H,90,2.1,ddd,"12.4,10.6,8.6"
H,91,2.1,ddd,"12.4,9.8,2.2"
H,92,1.69,m,
H,93,1.69,m,
H,94,2.11,dd,"11.2,1.4"
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,100,1.07,s,
