C,1,32.02,s,
N,2,,,
C,3,173.25,s,
O,4,,,
C,5,77.48,s,
O,6,,,
C,7,105.64,s,
O,8,,,
C,9,73.5,s,
O,10,,,
C,11,171.19,s,
O,12,,,
N,13,,,
C,14,64.7,s,
C,15,22.2,s,
C,16,22.2,s,
C,17,45.75,s,
C,18,33.89,s,
C,19,138.21,s,
C,20,126.32,s,
C,21,128.11,s,
C,22,116.11,s,
C,23,142.35,s,
C,24,130.1,s,
C,25,40.4,s,
C,26,92.26,s,
O,27,,,
H,28,3.72,s,
H,29,3.72,s,
H,30,3.72,s,
H,31,,,
H,32,4.52,s,
H,33,,,
H,34,1.42,s,
H,35,1.42,s,
H,36,1.42,s,
H,37,1.42,s,
H,38,1.42,s,
H,39,1.42,s,
H,40,2.83,ddd,"10.9,6.0,3.0"
H,41,3.01,dd,"15.4,3.0"
H,42,3.01,dd,"15.4,10.9"
H,43,7.3,dd,"6.7,1.4"
H,44,7.19,dd,"6.7,6.4"
H,45,7.32,dd,"6.4,1.4"
H,46,2.83,d,6.0
H,47,,,
