C,1,56.0,s,
O,2,,,
C,3,150.0,s,
C,4,111.61,s,
C,5,121.5,s,
C,6,127.97,s,
C,7,110.67,s,
C,8,147.0,s,
O,9,,,
C,10,155.6,s,
C,11,116.7,s,
C,12,130.5,s,
C,13,134.0,s,
C,14,130.5,s,
C,15,116.7,s,
C,16,39.73,s,
C,17,64.8,s,
C,18,131.87,s,
C,19,110.33,s,
C,20,147.92,s,
O,21,,,
C,22,56.33,s,
C,23,136.32,s,
O,24,,,
C,25,145.43,s,
C,26,125.03,s,
C,27,23.0,s,
C,28,50.18,s,
N,29,,,
C,30,42.33,s,
O,31,,,
C,32,146.21,s,
C,33,110.33,s,
C,34,129.88,s,
C,35,124.05,s,
C,36,114.6,s,
C,37,145.9,s,
O,38,,,
C,39,24.2,s,
C,40,47.07,s,
N,41,,,
C,42,42.27,s,
C,43,65.5,s,
C,44,40.4,s,
H,45,3.85,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,6.82,dd,"7.8,0.5"
H,49,6.59,dd,"7.8,1.9"
H,50,4.49,dd,"1.9,0.5"
H,51,7.09,ddd,"24.3,1.9,0.5"
H,52,7.22,ddd,"24.3,1.9,0.5"
H,53,7.22,ddd,"24.4,1.9,0.5"
H,54,7.09,ddd,"24.4,1.9,0.5"
H,55,3.66,dd,"15.4,9.4"
H,56,3.66,dd,"15.4,2.9"
H,57,4.39,dd,"9.4,2.9"
H,58,6.64,s,
H,59,3.84,s,
H,60,3.84,s,
H,61,3.84,s,
H,62,,,
H,63,2.59,ddd,"15.4,5.2,3.6"
H,64,2.59,ddd,"15.4,13.7,4.8"
H,65,2.78,ddd,"13.7,12.4,3.6"
H,66,2.78,ddd,"12.4,5.2,4.8"
H,67,2.54,s,
H,68,2.54,s,
H,69,2.54,s,
H,70,6.64,d,0.5
H,71,6.63,d,0.5
H,72,,,
H,73,2.85,ddd,"15.4,10.9,3.5"
H,74,2.85,ddd,"15.4,11.3,5.2"
H,75,2.78,ddd,"12.4,11.3,3.5"
H,76,2.78,ddd,"12.4,10.9,5.2"
H,77,2.54,s,
H,78,2.54,s,
H,79,2.54,s,
H,80,4.39,dd,"6.8,3.0"
H,81,3.01,dd,"15.4,6.8"
H,82,3.01,dd,"15.4,3.0"
