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,33,148.66,s,
C,34,110.33,s,
C,35,131.87,s,
C,36,125.03,s,
C,37,147.5,s,
O,38,,,
C,39,135.77,s,
O,40,,,
C,41,60.52,s,
C,42,23.0,s,
C,43,50.18,s,
N,44,,,
C,45,42.33,s,
C,46,64.8,s,
C,47,40.77,s,
H,48,3.85,s,
H,49,3.85,s,
H,50,3.85,s,
H,51,6.82,dd,"8.6,0.5"
H,52,6.59,dd,"8.6,1.9"
H,53,4.49,dd,"1.9,0.5"
H,54,7.09,ddd,"22.7,1.9,0.5"
H,55,7.22,ddd,"22.7,1.9,0.5"
H,56,7.22,ddd,"24.3,1.9,0.5"
H,57,7.09,ddd,"24.3,1.9,0.5"
H,58,3.66,dd,"15.4,11.7"
H,59,3.66,dd,"15.4,3.0"
H,60,4.39,dd,"11.7,3.0"
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,"15.4,5.8,2.8"
H,69,2.59,ddd,"15.4,13.5,3.1"
H,70,2.78,ddd,"12.4,5.8,3.1"
H,71,2.78,ddd,"13.5,12.4,2.8"
H,72,2.54,s,
H,73,2.54,s,
H,74,2.54,s,
H,75,6.64,s,
H,76,,,
H,77,3.88,s,
H,78,3.88,s,
H,79,3.88,s,
H,80,2.59,ddd,"15.4,3.8,2.8"
H,81,2.59,ddd,"15.4,12.8,3.0"
H,82,2.78,ddd,"12.8,12.4,2.8"
H,83,2.78,ddd,"12.4,3.8,3.0"
H,84,2.54,s,
H,85,2.54,s,
H,86,2.54,s,
H,87,4.39,dd,"11.0,2.5"
H,88,3.01,dd,"15.4,2.5"
H,89,3.01,dd,"15.4,11.0"
