C,1,56.0,s,
O,2,,,
C,3,152.6,s,
C,4,111.3,s,
C,5,133.9,s,
C,6,126.8,s,
C,7,137.1,s,
C,8,143.7,s,
O,9,,,
C,10,60.3,s,
C,11,47.3,s,
C,12,156.9,s,
C,13,126.8,s,
C,14,198.7,s,
O,15,,,
C,16,35.2,s,
C,17,31.5,s,
C,18,43.2,s,
C,19,65.0,s,
N,20,,,
C,21,43.3,s,
C,22,54.4,s,
C,23,27.0,s,
H,24,3.81,s,
H,25,3.81,s,
H,26,3.81,s,
H,27,6.66,s,
H,28,3.62,s,
H,29,3.62,s,
H,30,3.62,s,
H,31,6.3,d,12.0
H,32,6.72,d,12.0
H,33,2.45,ddd,"15.4,14.1,4.2"
H,34,2.45,ddd,"15.4,5.3,3.2"
H,35,1.72,ddd,"12.4,4.2,3.2"
H,36,1.72,ddd,"14.1,12.4,5.3"
H,37,2.15,dd,"12.4,7.5"
H,38,2.15,dd,"12.4,11.0"
H,39,4.75,dd,"11.0,7.5"
H,40,2.35,s,
H,41,2.35,s,
H,42,2.35,s,
H,43,2.78,ddd,"12.4,9.9,8.0"
H,44,2.78,ddd,"12.4,9.9,1.3"
H,45,2.85,ddd,"15.4,9.9,1.3"
H,46,2.85,ddd,"15.4,9.9,8.0"
