C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,120.23,s,
C,6,136.5,s,
C,7,116.8,s,
C,8,147.0,s,
O,9,,,
C,10,148.66,s,
C,11,111.07,s,
C,12,129.3,s,
C,13,129.13,s,
C,14,147.14,s,
O,15,,,
C,16,135.77,s,
O,17,,,
C,18,60.52,s,
C,19,29.7,s,
C,20,29.95,s,
C,21,23.2,s,
C,22,39.7,s,
C,23,70.7,s,
O,24,,,
C,25,37.2,s,
C,26,28.9,s,
H,27,3.85,s,
H,28,3.85,s,
H,29,3.85,s,
H,30,6.78,dd,"7.9,0.5"
H,31,6.66,dd,"7.9,1.9"
H,32,5.29,dd,"1.9,0.5"
H,33,6.84,d,23.9
H,34,6.9,d,23.9
H,35,,,
H,36,3.88,s,
H,37,3.88,s,
H,38,3.88,s,
H,39,2.84,ddd,"15.4,10.8,7.9"
H,40,2.84,ddd,"15.4,7.7,3.2"
H,41,1.67,m,
H,42,1.67,m,
H,43,1.39,m,
H,44,1.39,m,
H,45,1.27,m,
H,46,1.27,m,
H,47,3.5,m,
H,48,,,
H,49,1.7,m,
H,50,1.7,m,
H,51,2.81,ddd,"15.4,14.0,4.7"
H,52,2.81,ddd,"15.4,5.6,3.8"
