C,1,56.79,s,
O,2,,,
C,3,153.11,s,
C,4,111.24,s,
C,5,125.66,s,
C,6,138.21,s,
C,7,46.7,s,
C,8,58.42,s,
N,9,,,
C,10,40.72,s,
C,11,27.19,s,
C,12,125.97,s,
C,13,108.2,s,
C,14,145.8,s,
C,15,145.4,s,
C,16,110.33,s,
C,17,130.4,s,
O,18,,,
C,19,100.8,s,
O,20,,,
C,21,109.46,s,
C,22,172.62,s,
O,23,,,
O,24,,,
C,25,147.9,s,
O,26,,,
C,27,62.38,s,
H,28,3.87,s,
H,29,3.87,s,
H,30,3.87,s,
H,31,6.62,d,8.6
H,32,6.87,d,8.6
H,33,3.01,d,6.2
H,34,3.01,d,6.2
H,35,4.13,t,6.2
H,36,,,
H,37,3.08,ddd,"12.6,12.4,2.4"
H,38,3.08,ddd,"12.4,3.3,3.2"
H,39,2.78,ddd,"15.4,3.2,2.4"
H,40,2.78,ddd,"15.4,12.6,3.3"
H,41,6.57,d,0.5
H,42,6.64,d,0.5
H,43,5.88,s,
H,44,5.88,s,
H,45,,,
H,46,3.82,s,
H,47,3.82,s,
H,48,3.82,s,
