C,1,45.14,s,
N,2,,,
C,3,53.9,s,
C,4,38.94,s,
C,5,41.86,s,
C,6,,,
O,7,,,
C,8,48.61,s,
C,9,76.45,s,
O,10,,,
C,11,46.79,s,
C,12,61.05,s,
N,13,,,
C,14,169.14,s,
O,15,,,
C,16,42.49,s,
C,17,77.06,s,
O,18,,,
C,19,67.4,s,
C,20,60.85,s,
O,21,,,
C,22,77.48,s,
C,23,60.58,s,
C,24,142.35,s,
C,25,116.11,s,
C,26,131.17,s,
C,27,122.44,s,
C,28,124.58,s,
C,29,134.28,s,
H,30,2.28,s,
H,31,2.28,s,
H,32,2.28,s,
H,33,3.15,ddd,"13.1,12.4,1.3"
H,34,3.15,ddd,"12.4,7.8,2.4"
H,35,2.18,ddd,"13.1,12.4,2.4"
H,36,2.18,ddd,"12.4,7.8,1.3"
H,37,2.84,s,
H,38,2.84,s,
H,39,,,
H,40,2.42,dd,"11.6,11.2"
H,41,3.54,d,11.6
H,42,2.86,dd,"15.4,6.9"
H,43,2.86,dd,"15.4,10.1"
H,44,4.88,ddd,"11.2,10.1,6.9"
H,45,4.05,dd,"12.4,3.3"
H,46,4.05,dd,"12.4,1.8"
H,47,3.08,dd,"3.3,1.8"
H,48,3.05,s,
H,49,3.05,s,
H,50,7.32,ddd,"7.4,1.4,0.5"
H,51,7.43,ddd,"7.9,7.4,1.4"
H,52,6.94,ddd,"7.9,7.5,1.4"
H,53,7.25,ddd,"7.5,1.4,0.5"
