C,1,17.23,s,
C,2,37.05,s,
C,3,146.08,s,
C,4,115.36,s,
C,5,165.95,s,
O,6,,,
O,7,,,
C,8,62.35,s,
C,9,57.82,s,
N,10,,,
C,11,45.81,s,
C,12,45.81,s,
C,13,29.38,s,
C,14,24.35,s,
C,15,50.54,s,
C,16,47.39,s,
C,17,,,
O,18,,,
C,19,43.37,s,
C,20,51.21,s,
C,21,39.26,s,
C,22,22.07,s,
C,23,22.07,s,
C,24,80.49,s,
O,25,,,
C,26,170.99,s,
O,27,,,
C,28,47.48,s,
C,29,69.21,s,
C,30,29.65,s,
C,31,29.65,s,
O,32,,,
C,33,24.01,s,
C,34,36.29,s,
C,35,37.91,s,
C,36,16.96,s,
H,37,1.24,d,6.8
H,38,1.24,d,6.8
H,39,1.24,d,6.8
H,40,2.54,qd,"6.8,1.7"
H,41,5.81,s,
H,42,4.26,t,6.1
H,43,4.26,t,6.1
H,44,2.61,t,6.1
H,45,2.61,t,6.1
H,46,2.32,s,
H,47,2.32,s,
H,48,2.32,s,
H,49,2.32,s,
H,50,2.32,s,
H,51,2.32,s,
H,52,2.37,ddd,"15.4,14.3,1.7"
H,53,2.37,ddd,"15.4,4.8,2.3"
H,54,1.58,m,
H,55,1.58,m,
H,56,1.61,ddd,"9.4,3.2,0.7"
H,57,2.23,dd,"3.2,1.7"
H,58,2.74,dd,"15.4,5.3"
H,59,2.74,dd,"15.4,13.1"
H,60,1.45,dd,"13.1,5.3"
H,61,1.07,s,
H,62,1.07,s,
H,63,1.07,s,
H,64,1.07,s,
H,65,1.07,s,
H,66,1.07,s,
H,67,4.51,dd,"9.0,5.2"
H,68,2.52,s,
H,69,2.52,s,
H,70,1.31,s,
H,71,1.31,s,
H,72,1.31,s,
H,73,1.31,s,
H,74,1.31,s,
H,75,1.31,s,
H,76,,,
H,77,1.84,m,
H,78,1.84,m,
H,79,1.32,ddd,"12.4,10.1,1.6"
H,80,1.32,ddd,"12.4,9.6,7.8"
H,81,0.94,s,
H,82,0.94,s,
H,83,0.94,s,
