C,1,20.69,s,
C,2,144.11,s,
C,3,121.04,s,
C,4,165.24,s,
O,5,,,
N,6,,,
C,7,31.45,s,
C,8,58.68,s,
C,9,23.3,s,
C,10,37.6,s,
C,11,35.7,s,
C,12,19.24,s,
C,13,45.8,s,
C,14,28.51,s,
C,15,29.86,s,
C,16,36.72,s,
C,17,49.11,s,
C,18,21.64,s,
C,19,38.07,s,
C,20,37.91,s,
C,21,16.96,s,
C,22,57.08,s,
C,23,26.26,s,
C,24,34.1,s,
C,25,42.9,s,
C,26,55.31,s,
C,27,15.47,s,
N,28,,,
C,29,37.35,s,
C,30,161.74,s,
O,31,,,
C,32,29.2,s,
C,33,32.9,s,
C,34,21.1,s,
C,35,21.1,s,
H,36,1.9,s,
H,37,1.9,s,
H,38,1.9,s,
H,39,6.13,s,
H,40,2.91,s,
H,41,2.91,s,
H,42,2.91,s,
H,43,3.77,m,
H,44,1.84,m,
H,45,1.84,m,
H,46,1.72,ddd,"12.4,9.3,8.8"
H,47,1.72,ddd,"12.4,10.0,0.5"
H,48,0.79,s,
H,49,0.79,s,
H,50,0.79,s,
H,51,1.44,m,
H,52,1.48,m,
H,53,1.48,m,
H,54,1.58,dtd,"12.4,6.6,0.4"
H,55,1.58,m,
H,56,1.86,m,
H,57,0.83,ddd,"13.3,11.4,5.1"
H,58,1.46,m,
H,59,1.46,m,
H,60,1.17,ddd,"12.4,5.9,2.5"
H,61,1.17,ddd,"13.1,12.4,5.3"
H,62,0.94,s,
H,63,0.94,s,
H,64,0.94,s,
H,65,1.16,ddd,"10.1,9.9,7.7"
H,66,1.48,m,
H,67,1.48,m,
H,68,1.58,m,
H,69,1.58,m,
H,70,1.94,ddd,"11.0,8.7,5.7"
H,71,3.34,qd,"6.7,5.7"
H,72,1.25,d,6.7
H,73,1.25,d,6.7
H,74,1.25,d,6.7
H,75,3.01,s,
H,76,3.01,s,
H,77,3.01,s,
H,78,8.2,s,
H,79,1.87,ddd,"12.4,11.0,9.8"
H,80,1.87,ddd,"12.4,6.1,1.9"
H,81,2.53,m,6.7
H,82,0.97,d,6.7
H,83,0.97,d,6.7
H,84,0.97,d,6.7
H,85,0.97,d,6.7
H,86,0.97,d,6.7
H,87,0.97,d,6.7
