C,1,60.9,s,
O,2,,,
C,3,78.54,s,
C,4,80.31,s,
O,5,,,
C,6,157.88,s,
N,7,,,
O,8,,,
C,9,71.77,s,
O,10,,,
C,11,102.46,s,
O,12,,,
C,13,156.64,s,
C,14,111.97,s,
C,15,127.22,s,
C,16,114.87,s,
C,17,144.8,s,
O,18,,,
C,19,109.28,s,
N,20,,,
C,21,164.97,s,
O,22,,,
C,23,136.08,s,
C,24,126.94,s,
C,25,111.97,s,
C,26,154.5,s,
C,27,119.73,s,
C,28,128.7,s,
C,29,22.6,s,
C,30,32.7,s,
C,31,74.6,s,
C,32,26.43,s,
C,33,26.43,s,
O,34,,,
C,35,164.02,s,
O,36,,,
O,37,,,
C,38,155.62,s,
C,39,120.78,s,
C,40,9.03,s,
O,41,,,
C,42,80.57,s,
C,43,22.88,s,
C,44,22.88,s,
H,45,3.42,s,
H,46,3.42,s,
H,47,3.42,s,
H,48,4.76,d,2.1
H,49,4.35,dd,"4.0,2.1"
H,50,4.33,s,
H,51,4.33,s,
H,52,4.24,dd,"4.0,0.4"
H,53,,,
H,54,5.18,d,0.4
H,55,7.0,d,7.8
H,56,6.93,d,7.8
H,57,,,
H,58,9.82,s,
H,59,7.38,dd,"6.5,1.9"
H,60,7.0,dd,"6.5,0.5"
H,61,7.61,dd,"1.9,0.5"
H,62,2.81,ddd,"15.4,9.6,9.5"
H,63,2.81,ddd,"15.4,9.8,0.6"
H,64,1.9,ddd,"12.4,9.8,9.6"
H,65,1.9,ddd,"12.4,9.5,0.6"
H,66,1.36,s,
H,67,1.36,s,
H,68,1.36,s,
H,69,1.36,s,
H,70,1.36,s,
H,71,1.36,s,
H,72,2.12,s,
H,73,2.12,s,
H,74,2.12,s,
H,75,1.35,s,
H,76,1.35,s,
H,77,1.35,s,
H,78,1.35,s,
H,79,1.35,s,
H,80,1.35,s,
