C,1,22.42,s,
C,2,24.66,s,
C,3,22.42,s,
C,4,36.24,s,
C,5,57.53,s,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,57.53,s,
C,10,32.8,s,
C,11,110.16,s,
C,12,123.99,s,
N,13,,,
C,14,136.38,s,
C,15,111.5,s,
C,16,121.51,s,
C,17,119.23,s,
C,18,118.5,s,
C,19,127.47,s,
N,20,,,
C,21,162.36,s,
O,22,,,
C,23,57.53,s,
C,24,29.71,s,
C,25,23.68,s,
C,26,47.03,s,
N,27,,,
C,28,167.9,s,
O,29,,,
C,30,59.19,s,
C,31,28.57,s,
C,32,24.42,s,
C,33,47.47,s,
N,34,,,
C,35,169.5,s,
O,36,,,
C,37,57.53,s,
C,38,32.8,s,
C,39,134.98,s,
C,40,129.1,s,
C,41,128.8,s,
C,42,126.94,s,
C,43,128.8,s,
C,44,129.1,s,
N,45,,,
C,46,162.36,s,
O,47,,,
C,48,49.05,s,
N,49,,,
C,50,162.36,s,
O,51,,,
H,52,0.8,d,6.4
H,53,0.8,d,6.4
H,54,0.8,d,6.4
H,55,1.67,m,"6.4,5.9"
H,56,0.8,d,6.4
H,57,0.8,d,6.4
H,58,0.8,d,6.4
H,59,1.87,dd,"6.2,5.9"
H,60,1.87,dd,"6.2,5.9"
H,61,4.28,t,6.2
H,62,,,
H,63,4.28,t,6.3
H,64,3.5,d,6.3
H,65,3.5,d,6.3
H,66,7.11,d,0.5
H,67,,,
H,68,7.34,ddd,"8.5,1.4,0.5"
H,69,7.14,ddd,"8.5,7.0,1.4"
H,70,7.01,ddd,"7.3,7.0,1.4"
H,71,7.57,ddt,"7.3,1.4,0.5"
H,72,,,
H,73,4.28,dd,"6.7,1.0"
H,74,1.84,m,
H,75,1.84,m,
H,76,1.9,m,
H,77,1.9,m,
H,78,3.7,ddd,"12.4,10.7,1.4"
H,79,3.7,ddd,"12.4,9.3,7.8"
H,80,4.39,dd,"3.3,2.7"
H,81,2.12,m,
H,82,2.12,m,
H,83,2.22,m,
H,84,2.22,m,
H,85,3.7,ddd,"12.4,11.9,4.8"
H,86,3.7,ddd,"12.4,12.0,4.8"
H,87,3.58,t,6.2
H,88,3.5,d,6.2
H,89,3.5,d,6.2
H,90,7.25,m,
H,91,7.24,m,
H,92,7.22,ddt,"7.4,6.9,1.4"
H,93,7.24,m,
H,94,7.25,m,
H,95,,,
H,96,4.05,s,
H,97,4.05,s,
H,98,,,
