C,1,18.38,s,
C,2,30.56,s,
C,3,18.38,s,
C,4,57.53,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,40.4,s,
C,9,132.74,s,
C,10,136.1,s,
C,11,127.6,s,
C,12,111.67,s,
C,13,122.37,s,
C,14,109.87,s,
C,15,133.87,s,
N,16,,,
C,17,118.67,s,
C,18,109.93,s,
C,19,126.03,s,
C,20,26.97,s,
C,21,62.77,s,
N,22,,,
C,23,43.57,s,
C,24,53.83,s,
C,25,169.5,s,
O,26,,,
N,27,,,
C,28,169.5,s,
O,29,,,
C,30,59.7,s,
C,31,28.05,s,
C,32,23.75,s,
C,33,49.75,s,
N,34,,,
C,35,171.37,s,
O,36,,,
C,37,59.23,s,
C,38,35.65,s,
C,39,137.12,s,
C,40,129.13,s,
C,41,128.58,s,
C,42,126.94,s,
C,43,128.58,s,
C,44,129.13,s,
H,45,0.88,d,6.4
H,46,0.88,d,6.4
H,47,0.88,d,6.4
H,48,2.09,m,"6.4,5.3"
H,49,0.88,d,6.4
H,50,0.88,d,6.4
H,51,0.88,d,6.4
H,52,5.02,d,5.3
H,53,,,
H,54,2.83,ddd,"12.0,4.7,2.6"
H,55,5.92,d,2.6
H,56,9.1,dd,"7.3,1.4"
H,57,6.87,dd,"7.3,6.7"
H,58,7.36,dd,"6.7,1.4"
H,59,,,
H,60,7.13,s,
H,61,3.01,dd,"15.4,6.4"
H,62,3.01,dd,"15.4,11.7"
H,63,4.58,dd,"11.7,6.4"
H,64,2.35,s,
H,65,2.35,s,
H,66,2.35,s,
H,67,3.31,dd,"12.4,4.7"
H,68,3.31,dd,"12.4,12.0"
H,69,4.5,dd,"12.5,6.7"
H,70,2.41,m,
H,71,2.41,m,
H,72,1.87,m,
H,73,1.87,m,
H,74,3.7,ddd,"12.4,11.4,9.0"
H,75,3.7,ddd,"12.4,10.6,2.4"
H,76,4.49,t,6.5
H,77,3.18,d,6.5
H,78,3.18,d,6.5
H,79,7.31,m,
H,80,7.24,m,
H,81,7.22,ddt,"8.6,6.9,1.4"
H,82,7.24,m,
H,83,7.31,m,
