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,18,105.63,s,
C,19,134.23,s,
N,20,,,
C,21,136.4,s,
C,22,110.5,s,
C,23,121.27,s,
C,24,119.22,s,
C,25,118.08,s,
C,26,126.85,s,
H,27,1.67,d,7.0
H,28,1.67,d,7.0
H,29,1.67,d,7.0
H,30,5.45,q,7.0
H,31,3.82,s,
H,32,3.82,s,
H,33,5.19,dd,"10.4,4.5"
H,34,1.87,ddd,"12.4,10.4,3.4"
H,35,1.87,ddd,"12.4,4.5,3.1"
H,36,2.94,dd,"3.4,3.1"
H,37,3.97,s,
H,38,3.97,s,
H,39,,,
H,40,3.63,s,
H,41,3.63,s,
H,42,3.63,s,
H,43,3.78,dd,"9.9,1.5"
H,44,3.01,dd,"15.4,9.9"
H,45,3.01,dd,"15.4,1.5"
H,46,,,
H,47,7.32,ddd,"7.5,1.4,0.5"
H,48,7.18,ddd,"7.5,6.7,1.4"
H,49,7.13,ddd,"6.9,6.7,1.4"
H,50,7.53,ddd,"6.9,1.4,0.5"
