C,1,20.86,s,
C,2,72.7,s,
C,3,30.5,s,
C,4,80.76,s,
N,5,,,
C,6,174.4,s,
O,7,,,
C,8,34.1,s,
S,9,,,
C,10,105.64,s,
O,11,,,
O,12,,,
C,13,76.51,s,
C,14,42.83,s,
C,15,41.86,s,
C,16,,,
O,17,,,
C,18,153.63,s,
C,19,121.15,s,
C,20,27.64,s,
C,21,46.95,s,
C,22,50.54,s,
C,23,21.4,s,
C,24,41.2,s,
C,25,50.9,s,
C,26,16.3,s,
C,27,52.1,s,
C,28,178.4,s,
C,29,117.8,s,
C,30,176.32,s,
O,31,,,
O,32,,,
C,33,75.4,s,
C,34,27.9,s,
C,35,34.21,s,
C,36,85.35,s,
O,37,,,
C,38,37.7,s,
C,39,76.51,s,
O,40,,,
C,41,103.3,s,
O,42,,,
H,43,1.29,d,6.0
H,44,1.29,d,6.0
H,45,1.29,d,6.0
H,46,4.53,dqd,"8.6,6.0,1.2"
H,47,2.05,dd,"12.4,8.6"
H,48,2.05,dd,"12.4,1.2"
H,49,7.97,s,
H,50,3.62,s,
H,51,3.62,s,
H,52,,,
H,53,4.61,ddd,"5.4,2.4,2.2"
H,54,2.1,dd,"12.4,5.4"
H,55,2.1,dd,"12.4,2.2"
H,56,9.63,s,
H,57,5.54,dd,"5.0,2.8"
H,58,2.25,ddd,"15.4,12.3,2.8"
H,59,2.25,ddd,"15.4,5.0,4.9"
H,60,2.13,ddd,"12.3,12.0,4.9"
H,61,1.61,ddd,"12.0,10.9,6.6"
H,62,1.47,m,
H,63,1.47,m,
H,64,1.48,ddd,"12.4,7.6,1.5"
H,65,1.48,ddd,"12.4,12.0,6.0"
H,66,1.01,s,
H,67,1.01,s,
H,68,1.01,s,
H,69,2.79,dd,"10.9,3.4"
H,70,5.95,s,
H,71,5.07,s,
H,72,5.07,s,
H,73,2.06,m,
H,74,2.06,m,
H,75,2.13,ddd,"12.4,8.4,0.6"
H,76,2.13,ddd,"12.4,11.8,8.0"
H,77,,,
H,78,2.52,dd,"15.4,12.0"
H,79,2.52,dd,"15.4,3.5"
H,80,4.61,ddd,"12.0,3.5,2.4"
H,81,5.01,s,
