C,1,12.97,s,
C,2,121.02,s,
C,3,146.35,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,10,113.85,s,
C,11,155.15,s,
O,12,,,
C,13,55.88,s,
C,14,111.5,s,
C,15,110.5,s,
C,16,146.1,s,
N,17,,,
C,18,35.85,s,
C,19,57.53,s,
C,20,56.75,s,
C,21,35.12,s,
C,22,31.9,s,
C,23,51.6,s,
C,24,171.4,s,
O,25,,,
O,26,,,
C,27,51.9,s,
H,28,1.65,d,7.0
H,29,1.65,d,7.0
H,30,1.65,d,7.0
H,31,5.49,q,7.0
H,32,3.31,s,
H,33,3.31,s,
H,34,2.64,ddd,"12.4,8.6,7.8"
H,35,2.64,ddd,"12.4,10.1,1.9"
H,36,2.18,ddd,"12.4,8.6,1.9"
H,37,2.18,ddd,"12.4,10.1,7.8"
H,38,7.01,dd,"1.9,0.5"
H,39,3.77,s,
H,40,3.77,s,
H,41,3.77,s,
H,42,7.0,dd,"7.6,1.9"
H,43,7.26,dd,"7.6,0.5"
H,44,3.18,s,
H,45,3.18,s,
H,46,3.18,s,
H,47,4.28,d,1.7
H,48,2.3,ddd,"3.4,2.9,1.7"
H,49,2.05,ddd,"12.4,4.8,2.9"
H,50,2.05,ddd,"12.4,3.4,2.9"
H,51,3.69,ddd,"4.8,2.9,1.0"
H,52,3.08,d,1.0
H,53,3.7,s,
H,54,3.7,s,
H,55,3.7,s,
