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,10,72.44,s,
O,11,,,
C,12,170.74,s,
C,13,20.86,s,
O,14,,,
C,15,174.1,s,
O,16,,,
O,17,,,
C,18,50.0,s,
C,19,64.27,s,
C,20,35.29,s,
C,21,105.63,s,
C,22,134.23,s,
N,23,,,
C,24,136.4,s,
C,25,110.5,s,
C,26,121.27,s,
C,27,119.22,s,
C,28,118.08,s,
C,29,126.85,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,"10.4,7.0"
H,37,1.87,ddd,"12.4,10.4,3.0"
H,38,1.87,ddd,"12.4,7.0,1.6"
H,39,2.94,dd,"3.0,1.6"
H,40,4.13,s,
H,41,4.13,s,
H,42,2.07,s,
H,43,2.07,s,
H,44,2.07,s,
H,45,3.63,s,
H,46,3.63,s,
H,47,3.63,s,
H,48,3.78,d,7.1
H,49,3.01,d,15.4
H,50,3.01,dd,"15.4,7.1"
H,51,,,
H,52,7.32,ddd,"7.6,1.4,0.5"
H,53,7.18,ddd,"8.7,7.6,1.4"
H,54,7.13,ddd,"8.7,7.5,1.4"
H,55,7.53,ddd,"7.5,1.4,0.5"
