C,1,22.41,s,
C,2,169.39,s,
O,3,,,
O,4,,,
C,5,78.54,s,
C,6,76.9,s,
O,7,,,
C,8,164.75,s,
O,9,,,
C,10,126.25,s,
C,11,137.32,s,
C,12,123.64,s,
C,13,153.57,s,
N,14,,,
C,15,150.9,s,
C,16,45.2,s,
C,17,14.79,s,
C,18,146.52,s,
C,19,18.46,s,
C,20,122.18,s,
C,21,26.84,s,
C,22,18.56,s,
C,23,48.76,s,
C,24,48.25,s,
C,25,12.21,s,
C,26,78.41,s,
O,27,,,
C,28,164.75,s,
O,29,,,
C,30,126.25,s,
C,31,137.32,s,
C,32,123.64,s,
C,33,153.57,s,
N,34,,,
C,35,150.9,s,
C,36,40.59,s,
C,37,77.48,s,
C,38,71.31,s,
O,39,,,
C,40,172.75,s,
O,41,,,
C,42,43.16,s,
O,43,,,
C,44,86.3,s,
C,45,22.1,s,
H,46,2.04,s,
H,47,2.04,s,
H,48,2.04,s,
H,49,5.67,d,2.6
H,50,6.03,d,2.6
H,51,8.57,ddd,"7.0,1.9,1.4"
H,52,7.48,ddd,"7.0,5.3,0.5"
H,53,8.78,dd,"5.3,1.4"
H,54,9.55,dd,"1.9,0.5"
H,55,1.48,s,
H,56,1.48,s,
H,57,1.48,s,
H,58,1.91,s,
H,59,1.91,s,
H,60,1.91,s,
H,61,5.54,dd,"4.5,3.2"
H,62,2.35,m,
H,63,2.35,m,
H,64,1.58,m,
H,65,1.58,m,
H,66,2.11,dd,"10.7,2.6"
H,67,1.46,s,
H,68,1.46,s,
H,69,1.46,s,
H,70,4.77,dd,"9.7,6.0"
H,71,8.57,ddd,"7.5,1.9,1.4"
H,72,7.48,ddd,"7.5,4.7,0.5"
H,73,8.78,dd,"4.7,1.4"
H,74,9.55,dd,"1.9,0.5"
H,75,2.27,dd,"12.4,9.7"
H,76,2.27,dd,"12.4,6.0"
H,77,4.32,s,
H,78,4.32,s,
H,79,2.91,s,
H,80,2.91,s,
H,81,1.24,s,
H,82,1.24,s,
H,83,1.24,s,
