C,1,60.98,s,
O,2,,,
C,3,145.43,s,
C,4,144.25,s,
O,5,,,
C,6,115.43,s,
C,7,121.64,s,
C,8,140.95,s,
C,9,114.8,s,
C,10,167.6,s,
O,11,,,
O,12,,,
C,13,83.35,s,
C,14,66.2,s,
C,15,130.0,s,
C,16,107.4,s,
C,17,145.8,s,
C,18,145.8,s,
C,19,108.2,s,
C,20,125.3,s,
C,21,29.2,s,
C,22,50.4,s,
N,23,,,
C,24,45.0,s,
O,25,,,
C,26,100.8,s,
O,27,,,
H,28,3.84,s,
H,29,3.84,s,
H,30,3.84,s,
H,31,,,
H,32,6.82,d,6.4
H,33,7.22,d,6.4
H,34,5.11,d,5.3
H,35,4.28,d,5.3
H,36,6.64,d,0.5
H,37,6.57,d,0.5
H,38,2.85,ddd,"15.4,10.7,7.2"
H,39,2.85,ddd,"15.4,7.6,1.7"
H,40,2.78,ddd,"12.4,7.2,1.7"
H,41,2.78,ddd,"12.4,10.7,7.6"
H,42,2.35,s,
H,43,2.35,s,
H,44,2.35,s,
H,45,5.88,s,
H,46,5.88,s,
