C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,52.94,s,
N,5,,,
C,6,50.96,s,
C,7,42.57,s,
C,8,52.77,s,
C,9,123.01,s,
C,10,113.85,s,
C,11,155.15,s,
O,12,,,
C,13,55.88,s,
C,14,114.32,s,
C,15,116.35,s,
C,16,141.81,s,
N,17,,,
C,18,167.36,s,
O,19,,,
C,20,92.03,s,
O,21,,,
O,22,,,
C,23,70.43,s,
C,24,34.9,s,
C,25,42.38,s,
C,26,26.71,s,
C,27,60.23,s,
C,28,66.5,s,
H,29,1.65,d,7.0
H,30,1.65,d,7.0
H,31,1.65,d,7.0
H,32,5.45,q,7.0
H,33,3.31,s,
H,34,3.31,s,
H,35,3.01,ddd,"12.8,9.4,5.6"
H,36,3.01,dd,"9.4,7.1"
H,37,1.85,ddd,"12.8,12.4,7.1"
H,38,1.85,dd,"12.4,5.6"
H,39,7.01,dd,"1.9,0.5"
H,40,3.77,s,
H,41,3.77,s,
H,42,3.77,s,
H,43,7.0,dd,"7.5,1.9"
H,44,7.26,dd,"7.5,0.5"
H,45,5.21,s,
H,46,,,
H,47,4.04,dd,"12.4,9.8"
H,48,4.04,dd,"12.4,3.8"
H,49,2.83,m,
H,50,2.99,ddd,"3.7,3.4,1.8"
H,51,1.88,ddd,"12.4,4.2,3.7"
H,52,1.88,ddd,"12.4,3.4,1.6"
H,53,3.91,dd,"4.2,1.6"
H,54,3.54,d,11.7
