C,1,22.32,s,
C,2,24.52,s,
C,3,22.32,s,
C,4,40.31,s,
C,5,53.22,s,
N,6,,,
C,7,168.19,s,
O,8,,,
C,9,56.5,s,
C,10,27.26,s,
C,11,116.95,s,
C,12,126.7,s,
N,13,,,
C,14,72.0,s,
C,15,44.07,s,
C,16,59.23,s,
C,17,169.38,s,
O,18,,,
N,19,,,
C,20,56.35,s,
C,21,36.95,s,
C,22,135.85,s,
C,23,129.48,s,
C,24,128.7,s,
C,25,126.94,s,
C,26,128.7,s,
C,27,129.48,s,
C,28,167.23,s,
O,29,,,
N,30,,,
C,31,79.4,s,
N,32,,,
C,33,149.7,s,
C,34,124.9,s,
C,35,131.8,s,
C,36,120.4,s,
C,37,111.2,s,
C,38,125.8,s,
C,39,134.5,s,
C,40,111.6,s,
C,41,120.5,s,
C,42,121.72,s,
C,43,118.88,s,
C,44,129.8,s,
N,45,,,
C,46,166.65,s,
O,47,,,
H,48,0.82,d,6.4
H,49,0.82,d,6.4
H,50,0.82,d,6.4
H,51,1.57,m,"6.4,5.9"
H,52,0.82,d,6.4
H,53,0.82,d,6.4
H,54,0.82,d,6.4
H,55,1.56,dd,"6.2,5.9"
H,56,1.56,dd,"6.2,5.9"
H,57,4.42,dt,"7.0,6.2"
H,58,7.32,d,7.0
H,59,4.42,dt,"7.0,6.3"
H,60,3.35,d,6.3
H,61,3.35,d,6.3
H,62,7.54,d,0.5
H,63,2.23,dd,"12.4,6.9"
H,64,2.23,dd,"12.6,12.4"
H,65,4.49,dd,"12.6,6.9"
H,66,7.32,d,7.0
H,67,4.1,dt,"7.0,6.3"
H,68,2.91,d,6.3
H,69,2.91,d,6.3
H,70,7.21,m,
H,71,7.24,m,
H,72,7.22,tt,"8.3,1.4"
H,73,7.24,m,
H,74,7.21,m,
H,75,5.01,s,
H,76,,,
H,77,7.15,ddd,"6.9,1.4,0.5"
H,78,7.22,ddd,"8.5,6.9,1.4"
H,79,6.95,ddd,"8.6,8.5,1.4"
H,80,7.39,ddd,"8.6,1.4,0.5"
H,81,7.54,ddd,"7.0,1.4,0.5"
H,82,7.43,ddd,"8.4,7.0,1.4"
H,83,7.21,ddd,"8.4,6.5,1.4"
H,84,7.54,ddt,"6.5,1.4,0.5"
H,85,7.32,d,7.0
