C,1,22.85,s,
C,2,25.66,s,
C,3,22.85,s,
C,4,43.66,s,
C,5,172.04,s,
O,6,,,
O,7,,,
C,8,81.88,s,
C,9,21.83,s,
C,10,21.83,s,
C,11,89.3,s,
C,12,27.6,s,
C,13,113.0,s,
C,14,164.0,s,
C,15,106.7,s,
C,16,128.9,s,
C,17,113.5,s,
C,18,144.1,s,
C,19,112.03,s,
C,20,161.0,s,
O,21,,,
O,22,,,
C,23,151.2,s,
O,24,,,
H,25,0.98,d,6.4
H,26,0.98,d,6.4
H,27,0.98,d,6.4
H,28,2.08,m,"6.4,6.0"
H,29,0.98,d,6.4
H,30,0.98,d,6.4
H,31,0.98,d,6.4
H,32,2.25,d,6.0
H,33,2.25,d,6.0
H,34,1.35,s,
H,35,1.35,s,
H,36,1.35,s,
H,37,1.35,s,
H,38,1.35,s,
H,39,1.35,s,
H,40,4.54,dd,"11.9,4.0"
H,41,3.08,dd,"12.4,11.9"
H,42,3.08,dd,"12.4,4.0"
H,43,7.0,dd,"6.9,0.5"
H,44,7.39,ddd,"6.9,1.4,0.5"
H,45,7.6,ddd,"6.3,1.4,0.5"
H,46,6.21,dd,"6.3,0.5"
