C,1,55.0,s,
O,2,,,
C,3,156.0,s,
C,4,99.21,s,
C,5,165.24,s,
O,6,,,
N,7,,,
C,8,169.5,s,
O,9,,,
C,10,58.57,s,
C,11,28.74,s,
C,12,24.42,s,
C,13,47.47,s,
N,14,,,
C,15,169.5,s,
O,16,,,
C,17,57.83,s,
C,18,26.91,s,
C,19,18.48,s,
C,20,18.48,s,
N,21,,,
C,22,29.9,s,
C,23,171.19,s,
O,24,,,
C,25,77.6,s,
O,26,,,
C,27,170.15,s,
O,28,,,
C,29,60.2,s,
C,30,38.3,s,
C,31,24.3,s,
C,32,23.0,s,
C,33,23.0,s,
N,34,,,
C,35,42.6,s,
C,36,42.6,s,
C,37,29.6,s,
C,38,18.3,s,
C,39,18.3,s,
C,40,70.6,s,
C,41,30.56,s,
C,42,18.38,s,
C,43,18.38,s,
H,44,3.74,s,
H,45,3.74,s,
H,46,3.74,s,
H,47,5.47,s,
H,48,4.48,dd,"11.0,4.5"
H,49,2.08,m,
H,50,2.08,m,
H,51,2.22,m,
H,52,2.22,m,
H,53,3.7,ddd,"13.6,12.4,6.1"
H,54,3.7,ddd,"12.4,5.5,1.0"
H,55,5.19,d,5.7
H,56,2.39,m,"6.4,5.7"
H,57,0.85,d,6.4
H,58,0.85,d,6.4
H,59,0.85,d,6.4
H,60,0.85,d,6.4
H,61,0.85,d,6.4
H,62,0.85,d,6.4
H,63,2.91,s,
H,64,2.91,s,
H,65,2.91,s,
H,66,4.64,d,5.2
H,67,4.45,t,6.1
H,68,1.87,dd,"6.1,5.9"
H,69,1.87,dd,"6.1,5.9"
H,70,1.67,m,"6.4,5.9"
H,71,0.8,d,6.4
H,72,0.8,d,6.4
H,73,0.8,d,6.4
H,74,0.8,d,6.4
H,75,0.8,d,6.4
H,76,0.8,d,6.4
H,77,2.38,s,
H,78,2.38,s,
H,79,2.38,s,
H,80,2.38,s,
H,81,2.38,s,
H,82,2.38,s,
H,83,2.29,m,"6.4,5.2"
H,84,0.95,d,6.4
H,85,0.95,d,6.4
H,86,0.95,d,6.4
H,87,0.95,d,6.4
H,88,0.95,d,6.4
H,89,0.95,d,6.4
H,90,4.28,d,5.7
H,91,2.09,m,"6.4,5.7"
H,92,0.88,d,6.4
H,93,0.88,d,6.4
H,94,0.88,d,6.4
H,95,0.88,d,6.4
H,96,0.88,d,6.4
H,97,0.88,d,6.4
