C,1,56.98,s,
O,2,,,
C,3,153.8,s,
C,4,109.3,s,
C,5,122.3,s,
C,6,113.8,s,
C,7,117.49,s,
C,8,148.5,s,
N,9,,,
C,10,162.36,s,
O,11,,,
C,12,80.76,s,
C,13,43.4,s,
C,14,77.48,s,
O,15,,,
C,16,49.48,s,
C,17,134.21,s,
C,18,133.32,s,
C,19,64.7,s,
O,20,,,
C,21,84.0,s,
O,22,,,
N,23,,,
S,24,,,
S,25,,,
C,26,164.02,s,
O,27,,,
O,28,,,
C,29,143.7,s,
C,30,135.4,s,
O,31,,,
C,32,61.3,s,
H,33,3.86,s,
H,34,3.86,s,
H,35,3.86,s,
H,36,6.84,dd,"8.1,0.5"
H,37,6.76,dd,"8.1,1.4"
H,38,7.07,dd,"1.4,0.5"
H,39,,,
H,40,2.05,s,
H,41,2.05,s,
H,42,,,
H,43,4.42,d,2.8
H,44,6.2,dd,"11.0,2.8"
H,45,6.14,dd,"11.0,4.9"
H,46,4.22,dd,"10.8,4.9"
H,47,,,
H,48,4.52,d,10.8
H,49,,,
H,50,3.81,s,
H,51,3.81,s,
H,52,3.81,s,
