C,1,18.7,s,
C,2,31.38,s,
C,3,18.7,s,
C,4,54.8,s,
N,5,,,
C,6,170.55,s,
O,7,,,
C,8,55.73,s,
N,9,,,
C,10,166.33,s,
O,11,,,
C,12,134.22,s,
C,13,127.09,s,
C,14,128.55,s,
C,15,132.0,s,
C,16,128.55,s,
C,17,127.09,s,
C,18,72.05,s,
C,19,17.8,s,
O,20,,,
C,21,170.15,s,
O,22,,,
C,23,50.59,s,
C,24,26.36,s,
C,25,20.3,s,
C,26,25.28,s,
C,27,45.15,s,
N,28,,,
C,29,167.9,s,
O,30,,,
C,31,61.5,s,
C,32,28.1,s,
C,33,24.4,s,
C,34,25.28,s,
C,35,45.15,s,
N,36,,,
C,37,167.9,s,
O,38,,,
C,39,59.19,s,
C,40,28.57,s,
C,41,24.42,s,
C,42,47.47,s,
N,43,,,
C,44,169.5,s,
O,45,,,
H,46,1.01,d,6.4
H,47,1.01,d,6.4
H,48,1.01,d,6.4
H,49,2.28,m,"6.4,5.5"
H,50,1.01,d,6.4
H,51,1.01,d,6.4
H,52,1.01,d,6.4
H,53,4.34,dd,"7.0,5.5"
H,54,8.05,d,7.0
H,55,4.46,dd,"7.0,1.9"
H,56,7.4,d,7.0
H,57,7.8,m,
H,58,7.49,m,
H,59,7.52,ddt,"7.4,7.0,1.4"
H,60,7.49,m,
H,61,7.8,m,
H,62,5.3,qd,"6.2,1.9"
H,63,1.13,d,6.2
H,64,1.13,d,6.2
H,65,1.13,d,6.2
H,66,4.45,dd,"9.9,9.0"
H,67,1.84,m,
H,68,1.84,m,
H,69,1.52,m,
H,70,1.52,m,
H,71,1.57,m,
H,72,1.57,m,
H,73,3.67,ddd,"12.4,11.9,3.7"
H,74,3.67,ddd,"12.4,11.7,5.6"
H,75,4.49,dd,"10.7,8.2"
H,76,1.5,ddd,"12.4,10.7,5.6"
H,77,1.5,m,
H,78,1.5,m,
H,79,1.5,m,
H,80,1.57,m,
H,81,1.57,m,
H,82,3.67,ddd,"12.4,11.6,3.4"
H,83,3.67,ddd,"12.4,11.6,6.8"
H,84,4.39,dd,"6.2,0.9"
H,85,2.12,m,
H,86,2.12,m,
H,87,2.22,m,
H,88,2.22,m,
H,89,3.7,ddd,"12.4,11.6,4.7"
H,90,3.7,ddd,"12.4,10.8,4.1"
