C,1,54.9,s,
O,2,,,
C,3,151.1,s,
C,4,122.1,s,
C,5,41.4,s,
C,6,40.8,s,
C,7,45.4,s,
N,8,,,
C,9,42.2,s,
C,10,60.5,s,
C,11,32.7,s,
C,12,129.2,s,
C,13,110.47,s,
C,14,146.17,s,
O,15,,,
C,16,55.99,s,
C,17,145.9,s,
O,18,,,
C,19,106.15,s,
C,20,130.7,s,
C,21,161.4,s,
C,22,118.7,s,
C,23,181.3,s,
O,24,,,
H,25,3.87,s,
H,26,3.87,s,
H,27,3.87,s,
H,28,6.25,s,
H,29,2.18,ddd,"12.4,10.9,7.5"
H,30,2.18,ddd,"12.4,7.6,1.5"
H,31,2.58,ddd,"12.4,7.5,1.5"
H,32,2.58,ddd,"12.4,10.9,7.6"
H,33,2.35,s,
H,34,2.35,s,
H,35,2.35,s,
H,36,4.58,dd,"10.1,0.9"
H,37,3.01,dd,"15.4,0.9"
H,38,3.01,dd,"15.4,10.1"
H,39,6.68,d,0.5
H,40,3.86,s,
H,41,3.86,s,
H,42,3.86,s,
H,43,,,
H,44,6.94,d,0.5
H,45,6.22,s,
