C,1,42.85,s,
N,2,,,
C,3,46.25,s,
C,4,35.7,s,
C,5,43.0,s,
C,6,131.0,s,
C,7,125.5,s,
C,8,118.6,s,
C,9,116.4,s,
C,10,138.5,s,
O,11,,,
C,12,146.3,s,
O,13,,,
C,14,76.9,s,
C,15,75.46,s,
O,16,,,
C,17,98.96,s,
O,18,,,
C,19,74.14,s,
C,20,174.81,s,
O,21,,,
O,22,,,
C,23,72.62,s,
O,24,,,
C,25,76.23,s,
O,26,,,
C,27,74.02,s,
O,28,,,
C,29,133.32,s,
C,30,128.3,s,
C,31,40.65,s,
C,32,58.4,s,
C,33,20.2,s,
H,34,2.35,s,
H,35,2.35,s,
H,36,2.35,s,
H,37,2.58,ddd,"12.4,7.6,1.3"
H,38,2.58,ddd,"12.4,11.5,6.5"
H,39,2.18,ddd,"12.4,6.5,1.3"
H,40,2.18,ddd,"12.4,11.5,7.6"
H,41,6.63,d,9.3
H,42,6.8,d,9.3
H,43,,,
H,44,4.77,d,7.7
H,45,4.98,dd,"7.7,2.7"
H,46,4.95,d,2.0
H,47,3.88,d,4.0
H,48,,,
H,49,3.57,dd,"4.0,3.5"
H,50,,,
H,51,3.82,dd,"4.4,3.5"
H,52,,,
H,53,3.62,dd,"4.4,2.0"
H,54,,,
H,55,6.14,dd,"11.0,2.7"
H,56,6.16,dd,"11.0,2.7"
H,57,2.83,dd,"3.3,2.7"
H,58,3.6,ddd,"8.8,3.3,0.9"
H,59,3.01,dd,"15.4,8.8"
H,60,3.01,dd,"15.4,0.9"
