C,1,52.2,s,
O,2,,,
C,3,167.4,s,
O,4,,,
C,5,42.9,s,
C,6,172.36,s,
O,7,,,
N,8,,,
C,9,173.33,s,
O,10,,,
C,11,40.4,s,
C,12,45.75,s,
C,13,33.89,s,
C,14,138.21,s,
C,15,126.32,s,
C,16,128.11,s,
C,17,116.11,s,
C,18,142.35,s,
C,19,130.1,s,
C,20,77.48,s,
O,21,,,
C,22,173.25,s,
O,23,,,
N,24,,,
C,25,32.02,s,
C,26,64.7,s,
C,27,22.2,s,
C,28,22.2,s,
H,29,3.63,s,
H,30,3.63,s,
H,31,3.63,s,
H,32,2.05,s,
H,33,2.05,s,
H,34,2.83,d,9.9
H,35,2.83,ddd,"11.1,9.9,8.9"
H,36,3.01,dd,"15.4,8.9"
H,37,3.01,dd,"15.4,11.1"
H,38,7.3,dd,"6.8,1.4"
H,39,7.19,dd,"7.6,6.8"
H,40,7.32,dd,"7.6,1.4"
H,41,,,
H,42,3.72,s,
H,43,3.72,s,
H,44,3.72,s,
H,45,1.42,s,
H,46,1.42,s,
H,47,1.42,s,
H,48,1.42,s,
H,49,1.42,s,
H,50,1.42,s,
