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,7,40.77,s,
C,8,64.8,s,
C,9,131.87,s,
C,10,110.33,s,
C,11,151.83,s,
O,12,,,
C,13,56.31,s,
C,14,137.25,s,
C,15,145.43,s,
C,16,125.03,s,
C,17,23.0,s,
C,18,50.18,s,
N,19,,,
C,20,42.33,s,
O,21,,,
C,22,98.83,s,
O,23,,,
C,24,110.67,s,
C,25,147.0,s,
O,26,,,
C,27,155.6,s,
C,28,116.7,s,
C,29,130.5,s,
C,30,134.0,s,
C,31,39.73,s,
C,32,64.8,s,
C,33,131.87,s,
C,34,110.33,s,
C,35,151.83,s,
O,36,,,
C,37,56.31,s,
C,38,137.25,s,
C,39,145.43,s,
C,40,125.03,s,
C,41,23.0,s,
C,42,50.18,s,
N,43,,,
C,44,42.33,s,
O,45,,,
C,46,98.83,s,
O,47,,,
C,48,130.5,s,
C,49,116.7,s,
H,50,3.85,s,
H,51,3.85,s,
H,52,3.85,s,
H,53,6.82,dd,"7.9,0.5"
H,54,6.59,dd,"7.9,1.9"
H,55,3.01,d,6.2
H,56,3.01,d,6.2
H,57,4.39,t,6.2
H,58,6.64,s,
H,59,3.87,s,
H,60,3.87,s,
H,61,3.87,s,
H,62,2.59,ddd,"15.4,6.2,1.5"
H,63,2.59,ddd,"15.4,11.8,7.8"
H,64,2.78,ddd,"12.4,7.8,1.5"
H,65,2.78,ddd,"12.4,11.8,6.2"
H,66,2.54,s,
H,67,2.54,s,
H,68,2.54,s,
H,69,5.9,s,
H,70,5.9,s,
H,71,4.49,dd,"1.9,0.5"
H,72,7.09,ddd,"6.8,1.9,0.5"
H,73,7.22,ddd,"6.8,1.9,0.5"
H,74,3.66,d,6.2
H,75,3.66,d,6.2
H,76,4.39,t,6.2
H,77,6.64,s,
H,78,3.87,s,
H,79,3.87,s,
H,80,3.87,s,
H,81,2.59,ddd,"15.4,12.3,8.3"
H,82,2.59,ddd,"15.4,6.1,1.2"
H,83,2.78,ddd,"12.4,8.3,1.2"
H,84,2.78,ddd,"12.4,12.3,6.1"
H,85,2.54,s,
H,86,2.54,s,
H,87,2.54,s,
H,88,5.9,s,
H,89,5.9,s,
H,90,7.22,ddd,"7.2,1.9,0.5"
H,91,7.09,ddd,"7.2,1.9,0.5"
