C,1,39.5,s,
N,2,,,
C,3,62.61,s,
C,4,61.4,s,
O,5,,,
C,6,125.15,s,
C,7,146.19,s,
C,8,127.92,s,
C,9,111.07,s,
C,10,147.38,s,
C,11,145.43,s,
O,12,,,
C,13,101.57,s,
O,14,,,
C,15,41.86,s,
C,16,23.79,s,
C,17,75.84,s,
O,18,,,
C,19,34.04,s,
C,20,128.6,s,
C,21,109.4,s,
C,22,147.9,s,
C,23,145.4,s,
C,24,110.33,s,
C,25,131.87,s,
C,26,69.8,s,
O,27,,,
C,28,100.8,s,
O,29,,,
H,30,3.01,s,
H,31,3.01,s,
H,32,3.01,s,
H,33,3.92,t,5.7
H,34,4.03,d,5.7
H,35,4.03,d,5.7
H,36,,,
H,37,7.56,d,8.4
H,38,6.84,d,8.4
H,39,5.88,s,
H,40,5.88,s,
H,41,1.13,s,
H,42,1.13,s,
H,43,1.13,s,
H,44,4.12,dd,"10.1,7.2"
H,45,,,
H,46,3.08,dd,"15.4,7.2"
H,47,3.08,dd,"15.4,10.1"
H,48,6.68,d,0.5
H,49,6.64,d,0.5
H,50,4.16,s,
H,51,5.88,s,
H,52,5.88,s,
