C,1,55.9,s,
O,2,,,
C,3,144.2,s,
C,4,111.4,s,
C,5,122.2,s,
C,6,129.6,s,
C,7,133.2,s,
C,8,145.84,s,
O,9,,,
C,10,86.2,s,
C,11,27.5,s,
C,12,74.32,s,
O,13,,,
C,14,56.13,s,
C,15,125.15,s,
C,16,131.6,s,
C,17,48.4,s,
C,18,34.0,s,
C,19,53.9,s,
N,20,,,
C,21,42.4,s,
C,22,60.9,s,
H,23,3.87,s,
H,24,3.87,s,
H,25,3.87,s,
H,26,6.66,d,7.2
H,27,6.63,d,7.2
H,28,4.56,dd,"8.3,1.2"
H,29,2.38,ddd,"12.4,5.0,1.2"
H,30,2.38,ddd,"12.4,10.2,8.3"
H,31,5.19,ddd,"10.2,5.0,2.7"
H,32,3.15,s,
H,33,3.15,s,
H,34,3.15,s,
H,35,5.87,dd,"11.0,2.7"
H,36,6.31,d,11.0
H,37,1.83,ddd,"12.4,8.8,0.9"
H,38,1.83,ddd,"12.4,8.3,0.7"
H,39,3.15,ddd,"12.4,8.8,0.7"
H,40,3.15,ddd,"12.4,8.3,0.9"
H,41,2.4,s,
H,42,2.4,s,
H,43,2.4,s,
H,44,3.88,s,
H,45,3.88,s,
