C,1,22.6,s,
C,2,64.0,s,
O,3,,,
C,4,43.9,s,
C,5,171.34,s,
O,6,,,
O,7,,,
C,8,77.7,s,
C,9,35.12,s,
C,10,32.8,s,
C,11,31.17,s,
C,12,55.68,s,
N,13,,,
C,14,42.3,s,
C,15,60.03,s,
C,16,40.8,s,
C,17,142.78,s,
C,18,109.92,s,
C,19,146.95,s,
C,20,147.29,s,
C,21,109.87,s,
C,22,128.15,s,
C,23,163.9,s,
O,24,,,
O,25,,,
C,26,79.25,s,
O,27,,,
C,28,101.24,s,
O,29,,,
H,30,1.21,d,6.0
H,31,1.21,d,6.0
H,32,1.21,d,6.0
H,33,4.19,qt,"6.0,5.7"
H,34,,,
H,35,2.43,d,5.7
H,36,2.43,d,5.7
H,37,4.61,ddd,"12.2,9.8,4.9"
H,38,1.88,ddd,"12.4,12.2,11.9"
H,39,1.88,ddd,"12.4,5.2,4.9"
H,40,2.37,m,
H,41,1.8,m,
H,42,1.8,m,
H,43,2.82,ddd,"11.2,9.4,3.6"
H,44,2.82,ddd,"11.0,9.4,7.5"
H,45,2.35,s,
H,46,2.35,s,
H,47,2.35,s,
H,48,3.85,dd,"11.2,10.6"
H,49,3.11,dd,"12.0,11.2"
H,50,6.62,d,0.5
H,51,6.8,d,0.5
H,52,4.66,dd,"12.0,9.8"
H,53,6.12,s,
H,54,6.12,s,
