C,1,57.4,s,
O,2,,,
C,3,164.9,s,
C,4,97.1,s,
C,5,85.4,s,
C,6,39.1,s,
C,7,17.9,s,
C,8,70.2,s,
N,9,,,
O,10,,,
C,11,62.1,s,
C,12,28.5,s,
C,13,131.1,s,
C,14,109.4,s,
C,15,145.5,s,
C,16,145.5,s,
C,17,111.3,s,
C,18,128.8,s,
C,19,53.8,s,
C,20,71.7,s,
O,21,,,
O,22,,,
C,23,100.2,s,
O,24,,,
H,25,3.67,s,
H,26,3.67,s,
H,27,3.67,s,
H,28,6.44,s,
H,29,2.15,ddd,"12.4,11.6,3.3"
H,30,2.15,ddd,"12.4,11.1,5.9"
H,31,1.88,m,
H,32,1.88,m,
H,33,3.65,ddd,"9.6,9.4,6.9"
H,34,3.65,ddd,"10.7,9.4,3.0"
H,35,3.65,ddd,"12.7,12.4,4.7"
H,36,3.65,ddd,"12.4,4.4,3.4"
H,37,3.01,ddd,"13.4,12.7,4.4"
H,38,3.01,ddd,"13.4,4.7,3.4"
H,39,6.68,d,0.5
H,40,6.62,d,0.5
H,41,2.83,d,4.4
H,42,4.52,d,4.4
H,43,,,
H,44,5.88,s,
H,45,5.88,s,
