C,1,13.55,s,
C,2,39.3,s,
C,3,77.06,s,
C,4,40.0,s,
C,5,65.65,s,
C,6,20.54,s,
O,7,,,
C,8,66.5,s,
C,9,23.83,s,
C,10,23.83,s,
O,11,,,
C,12,164.9,s,
O,13,,,
C,14,126.4,s,
C,15,137.0,s,
C,16,123.64,s,
C,17,153.57,s,
N,18,,,
C,19,150.9,s,
C,20,52.93,s,
C,21,27.97,s,
C,22,24.9,s,
C,23,51.8,s,
C,24,43.95,s,
C,25,71.11,s,
O,26,,,
C,27,39.37,s,
C,28,153.63,s,
C,29,125.23,s,
C,30,185.79,s,
O,31,,,
C,32,127.67,s,
C,33,155.07,s,
C,34,43.11,s,
C,35,18.51,s,
C,36,50.54,s,
C,37,22.21,s,
C,38,40.8,s,
C,39,43.9,s,
C,40,12.8,s,
H,41,1.05,d,6.6
H,42,1.05,d,6.6
H,43,1.05,d,6.6
H,44,2.11,qdd,"6.6,5.6,5.1"
H,45,4.88,td,"5.9,5.1"
H,46,2.27,d,5.9
H,47,2.27,d,5.9
H,48,1.27,s,
H,49,1.27,s,
H,50,1.27,s,
H,51,1.4,s,
H,52,1.4,s,
H,53,1.4,s,
H,54,1.4,s,
H,55,1.4,s,
H,56,1.4,s,
H,57,8.57,ddd,"7.4,1.9,1.4"
H,58,7.48,ddd,"7.4,4.0,0.5"
H,59,8.78,dd,"4.0,1.4"
H,60,9.55,dd,"1.9,0.5"
H,61,1.58,ddd,"12.3,5.6,3.7"
H,62,1.62,m,
H,63,1.62,m,
H,64,1.48,m,
H,65,1.48,m,
H,66,1.61,ddd,"11.0,10.0,4.5"
H,67,2.42,ddd,"10.0,4.3,3.2"
H,68,4.19,ddd,"10.3,3.9,3.2"
H,69,,,
H,70,2.52,dd,"15.4,10.3"
H,71,2.52,dd,"15.4,3.9"
H,72,6.08,s,
H,73,6.15,d,12.0
H,74,7.41,d,12.0
H,75,1.2,s,
H,76,1.2,s,
H,77,1.2,s,
H,78,1.61,ddd,"11.2,4.3,2.0"
H,79,1.5,m,
H,80,1.5,m,
H,81,1.77,ddd,"12.4,8.1,2.1"
H,82,1.77,ddd,"12.4,10.3,10.0"
H,83,0.68,s,
H,84,0.68,s,
H,85,0.68,s,
