C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,52.94,s,
N,5,,,
C,6,51.05,s,
C,7,17.85,s,
C,8,107.48,s,
C,9,134.37,s,
N,10,,,
C,11,136.01,s,
C,12,110.86,s,
C,13,121.27,s,
C,14,119.48,s,
C,15,118.0,s,
C,16,127.42,s,
C,17,53.3,s,
C,18,20.5,s,
C,19,38.0,s,
C,20,110.35,s,
C,21,171.1,s,
O,22,,,
C,23,168.68,s,
O,24,,,
O,25,,,
C,26,51.55,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,31,3.31,s,
H,32,3.31,s,
H,33,3.04,ddd,"12.9,12.4,2.5"
H,34,3.04,ddd,"12.4,4.3,1.8"
H,35,2.62,ddd,"15.4,12.9,1.8"
H,36,2.62,ddd,"15.4,4.3,2.5"
H,37,,,
H,38,7.32,ddd,"7.7,1.4,0.5"
H,39,7.18,ddd,"7.7,7.4,1.4"
H,40,7.13,ddd,"7.4,6.6,1.4"
H,41,7.48,ddd,"6.6,1.4,0.5"
H,42,5.19,dd,"12.2,2.9"
H,43,2.21,ddd,"12.7,12.4,12.2"
H,44,2.21,ddd,"12.4,6.3,2.9"
H,45,4.09,dd,"12.7,6.3"
H,46,8.19,s,
H,47,,,
H,48,3.72,s,
H,49,3.72,s,
H,50,3.72,s,
