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,10,55.9,s,
C,11,69.81,s,
O,12,,,
C,13,142.71,s,
C,14,106.81,s,
C,15,147.55,s,
C,16,146.95,s,
C,17,109.92,s,
C,18,142.78,s,
C,19,40.4,s,
C,20,71.4,s,
O,21,,,
O,22,,,
C,23,101.35,s,
O,24,,,
H,25,3.67,s,
H,26,3.67,s,
H,27,3.67,s,
H,28,6.36,s,
H,29,1.99,ddd,"12.4,9.7,9.3"
H,30,1.99,ddd,"12.4,11.0,1.9"
H,31,2.25,m,
H,32,2.25,m,
H,33,2.25,ddd,"10.7,9.4,4.8"
H,34,2.25,ddd,"10.5,9.4,5.2"
H,35,3.69,dd,"12.4,9.6"
H,36,3.69,dd,"12.4,1.5"
H,37,4.97,dd,"9.6,1.5"
H,38,,,
H,39,6.6,d,0.5
H,40,6.62,d,0.5
H,41,2.83,d,9.7
H,42,4.52,d,9.7
H,43,,,
H,44,5.88,s,
H,45,5.88,s,
