C,1,20.79,s,
C,2,169.89,s,
O,3,,,
O,4,,,
C,5,76.9,s,
C,6,70.48,s,
O,7,,,
C,8,40.59,s,
C,9,70.95,s,
C,10,24.65,s,
O,11,,,
C,12,93.16,s,
O,13,,,
C,14,84.6,s,
C,15,28.2,s,
C,16,28.2,s,
C,17,46.02,s,
C,18,70.57,s,
O,19,,,
C,20,165.68,s,
O,21,,,
C,22,130.33,s,
C,23,129.65,s,
C,24,128.88,s,
C,25,133.32,s,
C,26,128.88,s,
C,27,129.65,s,
C,28,76.9,s,
O,29,,,
C,30,165.37,s,
O,31,,,
C,32,131.63,s,
C,33,129.51,s,
C,34,128.88,s,
C,35,133.32,s,
C,36,128.88,s,
C,37,129.51,s,
C,38,50.4,s,
C,39,21.1,s,
C,40,74.4,s,
O,41,,,
C,42,170.1,s,
C,43,21.6,s,
O,44,,,
H,45,2.0,s,
H,46,2.0,s,
H,47,2.0,s,
H,48,4.77,d,7.5
H,49,4.17,ddd,"11.1,7.5,4.8"
H,50,,,
H,51,2.27,dd,"12.4,4.8"
H,52,2.27,dd,"12.4,11.1"
H,53,1.64,s,
H,54,1.64,s,
H,55,1.64,s,
H,56,,,
H,57,1.34,s,
H,58,1.34,s,
H,59,1.34,s,
H,60,1.34,s,
H,61,1.34,s,
H,62,1.34,s,
H,63,3.16,dd,"8.5,1.5"
H,64,5.54,dd,"8.5,7.5"
H,65,8.03,m,
H,66,7.46,m,
H,67,7.57,ddt,"7.8,7.3,1.4"
H,68,7.46,m,
H,69,8.03,m,
H,70,4.77,d,7.5
H,71,8.03,m,
H,72,7.46,m,
H,73,7.57,ddt,"8.3,7.8,1.4"
H,74,7.46,m,
H,75,8.03,m,
H,76,1.58,s,
H,77,1.58,s,
H,78,1.58,s,
H,79,7.02,d,1.5
H,80,2.04,s,
H,81,2.04,s,
H,82,2.04,s,
