C,1,23.42,s,
C,2,172.87,s,
O,3,,,
N,4,,,
C,5,52.8,s,
C,6,31.1,s,
C,7,20.5,s,
C,8,35.0,s,
C,9,178.9,s,
O,10,,,
N,11,,,
C,12,58.4,s,
C,13,171.5,s,
O,14,,,
N,15,,,
C,16,66.95,s,
S,17,,,
C,18,64.65,s,
C,19,29.13,s,
C,20,29.13,s,
C,21,73.25,s,
C,22,172.0,s,
O,23,,,
O,24,,,
C,25,175.3,s,
O,26,,,
O,27,,,
H,28,1.95,s,
H,29,1.95,s,
H,30,1.95,s,
H,31,8.13,d,7.0
H,32,4.28,dt,"7.0,6.2"
H,33,1.84,td,"6.6,6.2"
H,34,1.84,td,"6.6,6.2"
H,35,1.66,tt,"6.7,6.6"
H,36,1.66,tt,"6.7,6.6"
H,37,2.28,t,6.7
H,38,2.28,t,6.7
H,39,7.4,d,7.0
H,40,5.64,dd,"10.0,7.0"
H,41,5.51,d,10.0
H,42,1.5,s,
H,43,1.5,s,
H,44,1.5,s,
H,45,1.5,s,
H,46,1.5,s,
H,47,1.5,s,
H,48,4.61,s,
H,49,,,
H,50,,,
