C,1,56.11,s,
O,2,,,
C,3,153.95,s,
C,4,113.19,s,
C,5,41.86,s,
C,6,38.94,s,
C,7,46.2,s,
N,8,,,
C,9,42.74,s,
C,10,62.1,s,
C,11,21.67,s,
C,12,129.2,s,
C,13,114.6,s,
C,14,145.64,s,
O,15,,,
C,16,147.35,s,
O,17,,,
C,18,56.0,s,
C,19,108.48,s,
C,20,146.19,s,
C,21,42.9,s,
C,22,43.37,s,
C,23,194.03,s,
O,24,,,
H,25,3.87,s,
H,26,3.87,s,
H,27,3.87,s,
H,28,6.25,s,
H,29,2.18,ddd,"12.4,10.8,7.4"
H,30,2.18,ddd,"12.4,8.1,1.2"
H,31,2.58,ddd,"12.4,10.8,8.1"
H,32,2.58,ddd,"12.4,7.4,1.2"
H,33,2.35,s,
H,34,2.35,s,
H,35,2.35,s,
H,36,3.6,ddd,"6.2,3.4,1.9"
H,37,3.01,dd,"15.4,6.2"
H,38,3.01,dd,"15.4,1.9"
H,39,6.63,d,0.5
H,40,,,
H,41,3.86,s,
H,42,3.86,s,
H,43,3.86,s,
H,44,6.57,d,0.5
H,45,1.94,ddd,"9.8,8.1,3.4"
H,46,2.74,dd,"15.4,9.8"
H,47,2.74,dd,"15.4,8.1"
