C,1,56.49,s,
O,2,,,
C,3,74.63,s,
C,4,33.8,s,
C,5,126.29,s,
C,6,132.07,s,
C,7,28.3,s,
C,8,62.53,s,
N,9,,,
C,10,52.18,s,
C,11,62.53,s,
C,12,28.05,s,
C,13,138.21,s,
C,14,125.66,s,
C,15,113.2,s,
C,16,155.18,s,
O,17,,,
C,18,111.52,s,
C,19,130.1,s,
C,20,81.63,s,
C,21,30.5,s,
H,22,3.22,s,
H,23,3.22,s,
H,24,3.22,s,
H,25,4.73,m,
H,26,2.44,ddd,"15.4,3.2,2.8"
H,27,2.44,ddd,"15.4,5.9,2.7"
H,28,5.54,dd,"5.9,2.8"
H,29,2.05,ddd,"13.3,12.4,5.3"
H,30,2.05,ddd,"12.4,4.3,1.7"
H,31,3.52,ddd,"13.3,9.4,4.3"
H,32,3.52,ddd,"9.4,5.3,1.7"
H,33,3.34,s,
H,34,3.34,s,
H,35,3.34,s,
H,36,3.52,ddd,"12.4,11.0,2.9"
H,37,3.52,ddd,"12.4,11.7,4.7"
H,38,3.01,ddd,"15.4,11.0,4.7"
H,39,3.01,ddd,"15.4,11.7,2.9"
H,40,6.87,dd,"8.0,0.5"
H,41,6.61,dd,"8.0,1.9"
H,42,,,
H,43,6.94,dd,"1.9,0.5"
H,44,3.0,dd,"12.4,1.1"
H,45,3.0,dd,"12.4,8.7"
