C,1,20.25,s,
C,2,29.5,s,
C,3,20.25,s,
C,4,45.18,s,
C,5,73.63,s,
O,6,,,
C,7,172.96,s,
O,8,,,
C,9,57.37,s,
C,10,82.97,s,
O,11,,,
C,12,34.24,s,
C,13,28.16,s,
C,14,50.07,s,
C,15,53.83,s,
N,16,,,
C,17,49.3,s,
C,18,63.63,s,
O,19,,,
C,20,92.26,s,
C,21,41.86,s,
C,22,23.79,s,
H,23,0.88,d,6.4
H,24,0.88,d,6.4
H,25,0.88,d,6.4
H,26,1.87,m,"6.4,5.5"
H,27,0.88,d,6.4
H,28,0.88,d,6.4
H,29,0.88,d,6.4
H,30,2.77,dd,"5.5,0.2"
H,31,4.52,d,0.2
H,32,3.18,s,
H,33,,,
H,34,1.83,ddd,"14.0,12.4,6.5"
H,35,1.83,ddd,"12.4,4.7,1.1"
H,36,1.58,m,
H,37,1.58,m,
H,38,2.24,m,
H,39,3.31,dd,"9.4,8.7"
H,40,3.31,dd,"9.4,0.5"
H,41,3.28,ddd,"10.0,5.4,3.0"
H,42,3.28,ddd,"10.2,7.8,5.4"
H,43,3.81,ddd,"10.0,7.8,6.4"
H,44,3.81,ddd,"10.2,6.4,3.0"
H,45,1.13,s,
H,46,1.13,s,
H,47,1.13,s,
