C,1,20.79,s,
C,2,169.89,s,
O,3,,,
O,4,,,
C,5,76.9,s,
C,6,79.25,s,
O,7,,,
C,8,169.1,s,
O,9,,,
C,10,34.31,s,
C,11,137.08,s,
C,12,19.61,s,
C,13,124.28,s,
C,14,20.65,s,
C,15,20.65,s,
C,16,54.73,s,
C,17,37.9,s,
C,18,35.12,s,
C,19,77.06,s,
O,20,,,
C,21,170.21,s,
C,22,21.23,s,
O,23,,,
C,24,49.79,s,
C,25,36.24,s,
C,26,65.3,s,
N,27,,,
C,28,42.85,s,
C,29,42.85,s,
C,30,23.3,s,
C,31,37.6,s,
C,32,37.66,s,
C,33,17.35,s,
C,34,50.54,s,
C,35,26.26,s,
C,36,27.31,s,
C,37,57.29,s,
C,38,,,
C,39,30.27,s,
O,40,,,
C,41,42.4,s,
C,42,16.87,s,
H,43,2.0,s,
H,44,2.0,s,
H,45,2.0,s,
H,46,4.77,d,1.9
H,47,5.72,dd,"3.0,1.9"
H,48,3.77,s,
H,49,3.77,s,
H,50,1.88,s,
H,51,1.88,s,
H,52,1.88,s,
H,53,1.87,s,
H,54,1.87,s,
H,55,1.87,s,
H,56,1.87,s,
H,57,1.87,s,
H,58,1.87,s,
H,59,1.86,dd,"12.1,3.0"
H,60,1.59,m,
H,61,1.88,ddd,"12.4,8.9,5.9"
H,62,1.88,ddd,"12.4,10.6,9.3"
H,63,5.07,ddd,"10.6,10.4,5.9"
H,64,2.02,s,
H,65,2.02,s,
H,66,2.02,s,
H,67,2.12,ddd,"10.4,9.3,1.5"
H,68,1.87,ddd,"12.4,10.4,9.3"
H,69,1.87,ddd,"12.4,6.3,1.5"
H,70,3.77,m,
H,71,2.38,s,
H,72,2.38,s,
H,73,2.38,s,
H,74,2.38,s,
H,75,2.38,s,
H,76,2.38,s,
H,77,1.84,m,
H,78,1.84,m,
H,79,1.72,ddd,"12.9,12.4,2.8"
H,80,1.72,ddd,"12.4,3.4,1.8"
H,81,1.04,s,
H,82,1.04,s,
H,83,1.04,s,
H,84,1.61,ddd,"12.0,8.6,4.9"
H,85,1.48,m,
H,86,1.48,m,
H,87,1.58,m,
H,88,1.58,m,
H,89,2.69,dd,"10.8,7.6"
H,90,2.11,s,
H,91,2.11,s,
H,92,2.11,s,
H,93,1.35,s,
H,94,1.35,s,
H,95,1.35,s,
