C,1,55.99,s,
O,2,,,
C,3,72.4,s,
C,4,128.4,s,
C,5,130.5,s,
C,6,50.1,s,
C,7,125.4,s,
C,8,109.1,s,
C,9,146.3,s,
C,10,146.3,s,
C,11,103.7,s,
C,12,127.8,s,
C,13,65.0,s,
O,14,,,
C,15,101.7,s,
O,16,,,
C,17,61.7,s,
N,18,,,
C,19,41.9,s,
C,20,69.9,s,
C,21,26.6,s,
O,22,,,
C,23,101.6,s,
O,24,,,
H,25,3.15,s,
H,26,3.15,s,
H,27,3.15,s,
H,28,5.19,ddd,"10.9,4.3,3.0"
H,29,5.87,dd,"11.0,4.3"
H,30,6.3,d,11.0
H,31,6.57,d,0.5
H,32,6.94,d,0.5
H,33,4.82,s,
H,34,4.82,s,
H,35,,,
H,36,3.58,s,
H,37,3.58,s,
H,38,2.35,s,
H,39,2.35,s,
H,40,2.35,s,
H,41,3.78,dd,"9.5,7.5"
H,42,2.2,ddd,"12.4,9.5,3.0"
H,43,2.2,ddd,"12.4,10.9,7.5"
H,44,5.88,s,
H,45,5.88,s,
