C,1,52.21,s,
O,2,,,
C,3,170.27,s,
O,4,,,
C,5,41.23,s,
N,6,,,
C,7,171.6,s,
O,8,,,
C,9,46.6,s,
C,10,70.82,s,
C,11,28.24,s,
O,12,,,
C,13,46.27,s,
C,14,170.99,s,
O,15,,,
O,16,,,
C,17,73.2,s,
C,18,41.0,s,
C,19,37.8,s,
C,20,20.7,s,
C,21,143.15,s,
C,22,136.4,s,
C,23,26.5,s,
C,24,19.5,s,
C,25,51.7,s,
C,26,39.5,s,
C,27,23.0,s,
C,28,23.0,s,
C,29,80.5,s,
O,30,,,
C,31,44.35,s,
C,32,24.38,s,
C,33,32.49,s,
C,34,27.73,s,
C,35,50.54,s,
C,36,36.13,s,
C,37,18.86,s,
C,38,33.85,s,
C,39,27.7,s,
C,40,79.1,s,
O,41,,,
C,42,72.2,s,
C,43,26.67,s,
C,44,26.67,s,
O,45,,,
C,46,47.72,s,
C,47,17.01,s,
C,48,75.84,s,
O,49,,,
C,50,39.37,s,
H,51,3.66,s,
H,52,3.66,s,
H,53,3.66,s,
H,54,3.71,d,7.0
H,55,3.71,d,7.0
H,56,7.4,t,7.0
H,57,2.05,s,
H,58,2.05,s,
H,59,1.22,s,
H,60,1.22,s,
H,61,1.22,s,
H,62,,,
H,63,3.15,s,
H,64,3.15,s,
H,65,5.54,ddd,"10.1,7.8,3.5"
H,66,2.1,dd,"12.4,10.1"
H,67,2.1,dd,"12.4,3.5"
H,68,1.08,s,
H,69,1.08,s,
H,70,1.08,s,
H,71,2.37,ddd,"15.4,6.4,3.5"
H,72,2.37,ddd,"15.4,12.8,4.0"
H,73,1.92,m,
H,74,1.92,m,
H,75,0.92,dd,"10.1,1.8"
H,76,1.16,s,
H,77,1.16,s,
H,78,1.16,s,
H,79,1.16,s,
H,80,1.16,s,
H,81,1.16,s,
H,82,3.56,d,7.8
H,83,,,
H,84,1.26,s,
H,85,1.26,s,
H,86,1.26,s,
H,87,1.83,ddd,"12.4,11.8,3.1"
H,88,1.83,ddd,"12.4,11.6,4.2"
H,89,1.72,m,
H,90,1.72,m,
H,91,1.61,ddd,"11.0,5.6,5.0"
H,92,1.37,qtd,"6.5,6.0,5.6"
H,93,0.89,d,6.5
H,94,0.89,d,6.5
H,95,0.89,d,6.5
H,96,1.72,td,"6.7,6.0"
H,97,1.72,td,"6.7,6.0"
H,98,2.04,td,"6.7,5.8"
H,99,2.04,td,"6.7,5.8"
H,100,3.66,t,5.8
H,101,,,
H,102,1.47,s,
H,103,1.47,s,
H,104,1.47,s,
H,105,1.47,s,
H,106,1.47,s,
H,107,1.47,s,
H,108,,,
H,109,1.25,s,
H,110,1.25,s,
H,111,1.25,s,
H,112,4.12,dd,"11.7,3.6"
H,113,,,
H,114,2.52,dd,"15.4,3.6"
H,115,2.52,dd,"15.4,11.7"
