C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,51.67,s,
N,5,,,
C,6,57.96,s,
C,7,36.24,s,
C,8,47.74,s,
C,9,52.8,s,
C,10,70.5,s,
O,11,,,
C,12,174.1,s,
O,13,,,
O,14,,,
C,15,50.0,s,
C,16,64.27,s,
C,17,35.29,s,
C,18,108.8,s,
C,19,133.78,s,
N,20,,,
C,21,30.73,s,
C,22,136.35,s,
C,23,111.99,s,
C,24,113.55,s,
C,25,156.11,s,
O,26,,,
C,27,55.62,s,
C,28,101.31,s,
C,29,130.47,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,36,5.19,dd,"9.1,7.5"
H,37,1.87,ddd,"12.4,9.1,5.2"
H,38,1.87,ddd,"12.4,7.5,1.0"
H,39,2.94,dd,"5.2,1.0"
H,40,3.97,s,
H,41,3.97,s,
H,42,,,
H,43,3.63,s,
H,44,3.63,s,
H,45,3.63,s,
H,46,3.78,dd,"10.3,1.7"
H,47,3.01,dd,"15.4,10.3"
H,48,3.01,dd,"15.4,1.7"
H,49,3.38,s,
H,50,3.38,s,
H,51,3.38,s,
H,52,7.55,dd,"7.6,0.5"
H,53,6.82,dd,"7.6,1.9"
H,54,3.84,s,
H,55,3.84,s,
H,56,3.84,s,
H,57,6.95,dd,"1.9,0.5"
