C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,51.67,s,
N,5,,,
C,6,56.75,s,
C,7,35.12,s,
C,8,47.74,s,
C,9,41.86,s,
C,10,174.33,s,
O,11,,,
O,12,,,
C,13,52.29,s,
C,14,73.63,s,
O,15,,,
C,16,41.86,s,
C,17,38.34,s,
C,18,64.27,s,
C,19,134.28,s,
C,20,113.85,s,
C,21,155.15,s,
O,22,,,
C,23,55.88,s,
C,24,114.32,s,
C,25,116.35,s,
C,26,142.35,s,
N,27,,,
C,28,35.85,s,
C,29,57.53,s,
H,30,1.67,d,7.0
H,31,1.67,d,7.0
H,32,1.67,d,7.0
H,33,5.45,q,7.0
H,34,3.82,s,
H,35,3.82,s,
H,36,2.3,ddd,"8.2,1.1,0.9"
H,37,2.05,ddd,"12.4,8.2,1.5"
H,38,2.05,ddd,"12.4,6.1,0.9"
H,39,2.94,dd,"6.1,1.5"
H,40,3.63,s,
H,41,3.63,s,
H,42,3.63,s,
H,43,4.52,s,
H,44,,,
H,45,2.15,dd,"12.4,0.7"
H,46,2.15,dd,"12.4,5.3"
H,47,3.78,dd,"5.3,0.7"
H,48,7.01,dd,"1.9,0.5"
H,49,3.77,s,
H,50,3.77,s,
H,51,3.77,s,
H,52,7.0,dd,"7.2,1.9"
H,53,7.26,dd,"7.2,0.5"
H,54,3.18,s,
H,55,3.18,s,
H,56,3.18,s,
H,57,4.28,d,1.1
