C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,121.5,s,
C,6,127.97,s,
C,7,110.67,s,
C,8,147.0,s,
O,9,,,
C,10,155.6,s,
C,11,116.7,s,
C,12,130.5,s,
C,13,134.0,s,
C,14,130.5,s,
C,15,116.7,s,
C,16,39.73,s,
C,17,64.8,s,
C,18,131.87,s,
C,19,110.33,s,
C,20,151.83,s,
O,21,,,
C,22,56.31,s,
C,23,139.54,s,
O,24,,,
C,25,60.99,s,
C,26,145.43,s,
C,27,125.03,s,
C,28,23.0,s,
C,29,50.18,s,
N,30,,,
C,31,42.33,s,
O,32,,,
C,33,137.7,s,
C,34,138.0,s,
O,35,,,
C,36,147.1,s,
O,37,,,
C,38,56.25,s,
C,39,107.8,s,
C,40,124.1,s,
C,41,124.6,s,
C,42,59.05,s,
C,43,41.4,s,
N,44,,,
C,45,42.23,s,
C,46,43.84,s,
C,47,23.3,s,
H,48,3.85,s,
H,49,3.85,s,
H,50,3.85,s,
H,51,6.82,dd,"9.5,0.5"
H,52,6.59,dd,"9.5,1.9"
H,53,4.49,dd,"1.9,0.5"
H,54,7.09,ddd,"20.2,1.9,0.5"
H,55,7.22,ddd,"20.2,1.9,0.5"
H,56,7.22,ddd,"22.7,1.9,0.5"
H,57,7.09,ddd,"22.7,1.9,0.5"
H,58,3.66,dd,"15.4,8.7"
H,59,3.66,dd,"15.4,2.6"
H,60,4.39,dd,"8.7,2.6"
H,61,6.64,s,
H,62,3.87,s,
H,63,3.87,s,
H,64,3.87,s,
H,65,3.81,s,
H,66,3.81,s,
H,67,3.81,s,
H,68,2.59,ddd,"15.4,6.9,2.1"
H,69,2.59,ddd,"15.4,12.7,2.7"
H,70,2.78,ddd,"12.7,12.4,2.1"
H,71,2.78,ddd,"12.4,6.9,2.7"
H,72,2.54,s,
H,73,2.54,s,
H,74,2.54,s,
H,75,,,
H,76,3.84,s,
H,77,3.84,s,
H,78,3.84,s,
H,79,6.32,s,
H,80,4.39,dd,"7.6,3.1"
H,81,3.01,dd,"15.4,7.6"
H,82,3.01,dd,"15.4,3.1"
H,83,2.53,s,
H,84,2.53,s,
H,85,2.53,s,
H,86,2.78,dt,"12.4,2.7"
H,87,2.78,td,"12.4,2.8"
H,88,2.85,ddd,"15.4,2.8,2.7"
H,89,2.85,ddd,"15.4,12.4,2.7"
