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,12,92.26,s,
N,13,,,
C,14,30.5,s,
C,15,77.48,s,
O,16,,,
C,17,83.16,s,
C,18,133.32,s,
C,19,133.32,s,
C,20,70.66,s,
O,21,,,
C,22,74.89,s,
O,23,,,
O,24,,,
C,25,164.02,s,
O,26,,,
O,27,,,
C,28,143.7,s,
C,29,135.4,s,
O,30,,,
C,31,61.3,s,
H,32,3.86,s,
H,33,3.86,s,
H,34,3.86,s,
H,35,6.84,dd,"6.7,0.5"
H,36,6.76,dd,"6.7,1.4"
H,37,7.07,dd,"1.4,0.5"
H,38,,,
H,39,,,
H,40,,,
H,41,2.05,s,
H,42,2.05,s,
H,43,,,
H,44,5.13,d,3.3
H,45,6.14,dd,"10.2,3.3"
H,46,6.14,dd,"10.2,6.5"
H,47,4.22,dd,"6.5,3.4"
H,48,,,
H,49,4.12,d,3.4
H,50,,,
H,51,3.81,s,
H,52,3.81,s,
H,53,3.81,s,
