C,1,55.95,s,
O,2,,,
C,3,148.2,s,
C,4,110.5,s,
C,5,128.3,s,
C,6,123.4,s,
C,7,111.2,s,
C,8,147.6,s,
O,9,,,
C,10,56.05,s,
C,11,116.6,s,
C,12,141.7,s,
C,13,146.6,s,
C,14,106.1,s,
C,15,126.6,s,
C,16,126.4,s,
C,17,62.4,s,
C,18,34.3,s,
N,19,,,
C,20,43.75,s,
C,21,53.03,s,
C,22,29.2,s,
O,23,,,
C,24,100.2,s,
O,25,,,
H,26,3.8,s,
H,27,3.8,s,
H,28,3.8,s,
H,29,6.76,d,0.5
H,30,7.96,d,0.5
H,31,3.8,s,
H,32,3.8,s,
H,33,3.8,s,
H,34,6.68,s,
H,35,2.97,dd,"10.4,5.2"
H,36,2.76,dd,"15.4,5.2"
H,37,2.76,dd,"15.4,10.4"
H,38,2.55,s,
H,39,2.55,s,
H,40,2.55,s,
H,41,2.78,ddd,"12.4,9.5,0.9"
H,42,2.78,ddd,"12.4,9.8,9.0"
H,43,2.96,ddd,"15.4,9.0,0.9"
H,44,2.96,ddd,"15.4,9.8,9.5"
H,45,5.88,s,
H,46,5.88,s,
