C,1,56.7,s,
O,2,,,
C,3,167.56,s,
C,4,127.06,s,
C,5,61.74,s,
C,6,34.93,s,
C,7,22.4,s,
C,8,49.25,s,
N,9,,,
C,10,49.76,s,
C,11,32.98,s,
C,12,138.21,s,
C,13,110.47,s,
C,14,147.78,s,
C,15,146.95,s,
C,16,109.92,s,
C,17,142.78,s,
C,18,40.4,s,
C,19,71.4,s,
O,20,,,
O,21,,,
C,22,100.2,s,
O,23,,,
H,24,3.67,s,
H,25,3.67,s,
H,26,3.67,s,
H,27,6.36,s,
H,28,1.99,ddd,"12.4,11.2,4.6"
H,29,1.99,ddd,"12.4,12.0,4.3"
H,30,2.25,m,
H,31,2.25,m,
H,32,2.25,ddd,"9.5,9.4,9.1"
H,33,2.25,ddd,"9.7,9.4,1.2"
H,34,3.34,ddd,"12.5,12.4,2.5"
H,35,3.34,ddd,"12.4,5.9,1.6"
H,36,2.91,ddd,"13.4,12.5,1.6"
H,37,2.91,ddd,"13.4,5.9,2.5"
H,38,6.68,d,0.5
H,39,6.62,d,0.5
H,40,2.83,d,3.9
H,41,4.52,d,3.9
H,42,,,
H,43,5.88,s,
H,44,5.88,s,
