C,1,21.3,s,
C,2,170.5,s,
O,3,,,
O,4,,,
C,5,65.36,s,
C,6,53.5,s,
C,7,69.27,s,
O,8,,,
C,9,164.75,s,
O,10,,,
C,11,126.25,s,
C,12,137.32,s,
C,13,123.64,s,
C,14,153.57,s,
N,15,,,
C,16,150.9,s,
C,17,34.77,s,
C,18,48.75,s,
C,19,78.55,s,
O,20,,,
C,21,169.9,s,
C,22,21.3,s,
O,23,,,
C,24,89.2,s,
O,25,,,
C,26,82.75,s,
C,27,28.23,s,
C,28,28.23,s,
C,29,33.05,s,
C,30,18.27,s,
C,31,30.93,s,
C,32,70.3,s,
O,33,,,
C,34,166.1,s,
O,35,,,
C,36,129.8,s,
C,37,129.8,s,
C,38,128.88,s,
C,39,133.32,s,
C,40,128.88,s,
C,41,129.8,s,
C,42,71.57,s,
O,43,,,
C,44,169.43,s,
C,45,20.42,s,
O,46,,,
H,47,2.07,s,
H,48,2.07,s,
H,49,2.07,s,
H,50,5.02,s,
H,51,5.02,s,
H,52,5.56,dd,"7.3,2.0"
H,53,8.57,ddd,"7.8,1.9,1.4"
H,54,7.48,ddd,"7.8,4.0,0.5"
H,55,8.78,dd,"4.0,1.4"
H,56,9.55,dd,"1.9,0.5"
H,57,2.49,ddd,"12.4,9.5,2.0"
H,58,2.49,ddd,"12.4,7.3,0.3"
H,59,3.96,ddd,"9.5,4.1,0.3"
H,60,6.13,d,4.1
H,61,2.04,s,
H,62,2.04,s,
H,63,2.04,s,
H,64,1.48,s,
H,65,1.48,s,
H,66,1.48,s,
H,67,1.48,s,
H,68,1.48,s,
H,69,1.48,s,
H,70,2.51,dqd,"8.3,6.6,1.6"
H,71,1.33,d,6.6
H,72,1.33,d,6.6
H,73,1.33,d,6.6
H,74,2.33,ddd,"12.4,1.8,1.6"
H,75,2.33,ddd,"12.4,8.3,7.1"
H,76,5.92,ddd,"7.1,2.8,1.8"
H,77,8.03,m,
H,78,7.46,m,
H,79,7.57,ddt,"8.4,7.9,1.4"
H,80,7.46,m,
H,81,8.03,m,
H,82,5.91,d,2.8
H,83,2.0,s,
H,84,2.0,s,
H,85,2.0,s,
