C,1,12.73,s,
C,2,120.68,s,
C,3,140.47,s,
C,4,52.94,s,
N,5,,,
C,6,51.91,s,
C,7,38.94,s,
C,8,41.86,s,
C,9,134.28,s,
C,10,111.52,s,
C,11,155.18,s,
O,12,,,
C,13,116.85,s,
C,14,116.35,s,
C,15,142.35,s,
N,16,,,
C,17,37.35,s,
C,18,92.26,s,
O,19,,,
C,20,72.44,s,
C,21,41.86,s,
C,22,174.33,s,
O,23,,,
O,24,,,
C,25,52.29,s,
C,26,47.74,s,
C,27,35.12,s,
C,28,52.0,s,
H,29,1.6,d,7.0
H,30,1.6,d,7.0
H,31,1.6,d,7.0
H,32,5.5,q,7.0
H,33,3.31,s,
H,34,3.31,s,
H,35,2.64,ddd,"22.3,18.9,12.4"
H,36,2.64,ddd,"24.6,21.2,12.4"
H,37,2.18,ddd,"24.6,22.3,12.4"
H,38,2.18,ddd,"21.2,18.9,12.4"
H,39,6.94,dd,"1.9,0.5"
H,40,,,
H,41,6.42,dd,"7.5,1.9"
H,42,7.26,dd,"7.5,0.5"
H,43,2.58,s,
H,44,2.58,s,
H,45,2.58,s,
H,46,4.13,s,
H,47,4.13,s,
H,48,3.63,s,
H,49,3.63,s,
H,50,3.63,s,
H,51,2.94,dd,"13.4,6.6"
H,52,2.05,ddd,"13.4,12.4,9.7"
H,53,2.05,ddd,"16.5,12.4,6.6"
H,54,4.28,dd,"16.5,9.7"
