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,12,124.1,s,
C,13,132.34,s,
C,14,124.1,s,
C,15,116.7,s,
C,16,39.3,s,
C,17,59.05,s,
C,18,125.15,s,
C,19,125.03,s,
C,20,149.4,s,
O,21,,,
C,22,60.7,s,
C,23,137.38,s,
C,24,137.25,s,
C,25,145.43,s,
O,26,,,
C,27,145.43,s,
C,28,125.03,s,
C,29,131.87,s,
C,30,110.33,s,
C,31,151.83,s,
O,32,,,
C,33,56.31,s,
C,34,139.54,s,
O,35,,,
C,36,60.99,s,
C,37,64.8,s,
C,38,40.77,s,
N,39,,,
C,40,42.33,s,
C,41,50.18,s,
C,42,23.0,s,
O,43,,,
C,44,98.83,s,
O,45,,,
C,46,23.0,s,
C,47,50.18,s,
N,48,,,
C,49,42.23,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,3.85,s,
H,53,6.82,dd,"8.5,0.5"
H,54,6.59,dd,"8.5,1.9"
H,55,4.49,dd,"1.9,0.5"
H,56,7.09,ddd,"21.2,1.9,0.5"
H,57,7.22,ddd,"21.2,1.9,0.5"
H,58,7.22,ddd,"21.8,1.9,0.5"
H,59,7.09,ddd,"21.8,1.9,0.5"
H,60,4.97,dd,"15.4,0.9"
H,61,4.97,dd,"15.4,12.8"
H,62,4.39,dd,"12.8,0.9"
H,63,3.84,s,
H,64,3.84,s,
H,65,3.84,s,
H,66,6.64,s,
H,67,3.87,s,
H,68,3.87,s,
H,69,3.87,s,
H,70,3.81,s,
H,71,3.81,s,
H,72,3.81,s,
H,73,4.39,dd,"12.1,2.6"
H,74,3.01,dd,"15.4,12.1"
H,75,3.01,dd,"15.4,2.6"
H,76,2.54,s,
H,77,2.54,s,
H,78,2.54,s,
H,79,2.78,ddd,"12.4,12.0,5.8"
H,80,2.78,ddd,"12.4,7.6,2.6"
H,81,2.59,ddd,"15.4,12.0,7.6"
H,82,2.59,ddd,"15.4,5.8,2.6"
H,83,5.5,s,
H,84,5.5,s,
H,85,2.59,ddd,"15.4,10.7,3.9"
H,86,2.59,ddd,"15.4,11.4,2.6"
H,87,2.78,ddd,"12.4,10.7,2.6"
H,88,2.78,ddd,"12.4,11.4,3.9"
H,89,2.53,s,
H,90,2.53,s,
H,91,2.53,s,
