C,1,20.25,s,
C,2,29.5,s,
C,3,20.25,s,
C,4,45.18,s,
C,5,46.61,s,
C,6,172.96,s,
O,7,,,
O,8,,,
C,9,73.63,s,
C,10,92.26,s,
O,11,,,
N,12,,,
C,13,35.95,s,
C,14,53.83,s,
C,15,50.07,s,
C,16,28.16,s,
C,17,26.26,s,
C,18,50.54,s,
C,19,41.86,s,
C,20,23.79,s,
H,21,0.88,d,6.4
H,22,0.88,d,6.4
H,23,0.88,d,6.4
H,24,1.87,m,"6.4,5.5"
H,25,0.88,d,6.4
H,26,0.88,d,6.4
H,27,0.88,d,6.4
H,28,2.77,dd,"5.5,0.9"
H,29,2.82,dd,"2.9,0.9"
H,30,4.52,s,
H,31,,,
H,32,2.83,s,
H,33,2.83,s,
H,34,2.83,s,
H,35,3.31,dd,"9.4,8.8"
H,36,3.31,dd,"9.4,8.8"
H,37,2.24,tdd,"8.8,3.9,0.2"
H,38,1.58,m,
H,39,1.58,m,
H,40,1.48,m,
H,41,1.48,m,
H,42,1.61,ddd,"11.2,8.5,2.9"
H,43,1.13,s,
H,44,1.13,s,
H,45,1.13,s,
