C,1,27.25,s,
C,2,77.24,s,
C,3,27.25,s,
C,4,38.54,s,
C,5,157.35,s,
C,6,125.5,s,
C,7,183.83,s,
O,8,,,
C,9,133.83,s,
C,10,125.76,s,
C,11,125.41,s,
C,12,108.8,s,
C,13,140.19,s,
N,14,,,
C,15,142.9,s,
C,16,123.47,s,
C,17,137.11,s,
C,18,41.86,s,
C,19,23.79,s,
C,20,43.45,s,
C,21,26.76,s,
C,22,35.22,s,
C,23,79.92,s,
O,24,,,
C,25,162.55,s,
C,26,127.9,s,
C,27,197.79,s,
O,28,,,
C,29,79.9,s,
O,30,,,
C,31,108.53,s,
C,32,33.56,s,
C,33,35.28,s,
C,34,45.19,s,
C,35,17.82,s,
O,36,,,
C,37,80.57,s,
C,38,22.88,s,
C,39,22.88,s,
C,40,33.89,s,
C,41,87.86,s,
C,42,25.04,s,
C,43,25.04,s,
O,44,,,
H,45,1.31,s,
H,46,1.31,s,
H,47,1.31,s,
H,48,1.31,s,
H,49,1.31,s,
H,50,1.31,s,
H,51,3.21,s,
H,52,3.21,s,
H,53,8.44,d,0.5
H,54,,,
H,55,7.04,d,0.5
H,56,1.13,s,
H,57,1.13,s,
H,58,1.13,s,
H,59,1.61,m,
H,60,1.78,m,
H,61,1.78,m,
H,62,1.9,ddd,"12.4,5.0,2.3"
H,63,1.9,ddd,"13.6,12.4,5.3"
H,64,,,
H,65,6.22,s,
H,66,4.52,s,
H,67,2.02,ddd,"12.4,11.6,6.5"
H,68,2.02,ddd,"12.4,7.9,2.1"
H,69,1.72,ddd,"12.4,6.5,2.1"
H,70,1.72,ddd,"12.4,11.6,7.9"
H,71,1.13,s,
H,72,1.13,s,
H,73,1.13,s,
H,74,1.35,s,
H,75,1.35,s,
H,76,1.35,s,
H,77,1.35,s,
H,78,1.35,s,
H,79,1.35,s,
H,80,3.01,dd,"12.9,12.4"
H,81,3.01,dd,"12.4,5.1"
H,82,1.16,s,
H,83,1.16,s,
H,84,1.16,s,
H,85,1.16,s,
H,86,1.16,s,
H,87,1.16,s,
