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,16,39.1,s,
C,17,64.5,s,
C,18,129.8,s,
C,19,111.9,s,
C,20,147.0,s,
C,21,146.35,s,
O,22,,,
C,23,55.45,s,
C,24,112.5,s,
C,25,127.3,s,
C,26,25.52,s,
C,27,47.8,s,
N,28,,,
C,29,42.39,s,
O,30,,,
C,31,137.7,s,
C,32,138.0,s,
O,33,,,
C,34,147.1,s,
O,35,,,
C,36,56.25,s,
C,37,107.8,s,
C,38,124.1,s,
C,39,124.6,s,
C,40,59.05,s,
C,41,41.4,s,
N,42,,,
C,43,42.23,s,
C,44,43.84,s,
C,45,23.3,s,
H,46,3.85,s,
H,47,3.85,s,
H,48,3.85,s,
H,49,6.82,dd,"8.0,0.5"
H,50,6.59,dd,"8.0,1.9"
H,51,4.49,dd,"1.9,0.5"
H,52,7.09,ddd,"24.1,1.9,0.5"
H,53,7.22,ddd,"24.1,1.9,0.5"
H,54,7.22,ddd,"20.1,1.9,0.5"
H,55,7.09,ddd,"20.1,1.9,0.5"
H,56,3.66,dd,"15.4,9.9"
H,57,3.66,dd,"15.4,7.1"
H,58,4.39,dd,"9.9,7.1"
H,59,6.64,d,0.5
H,60,3.8,s,
H,61,3.8,s,
H,62,3.8,s,
H,63,6.55,d,0.5
H,64,2.85,ddd,"15.4,11.0,2.8"
H,65,2.85,ddd,"15.4,10.8,4.9"
H,66,2.78,ddd,"12.4,10.8,2.8"
H,67,2.78,ddd,"12.4,11.0,4.9"
H,68,2.54,s,
H,69,2.54,s,
H,70,2.54,s,
H,71,,,
H,72,3.84,s,
H,73,3.84,s,
H,74,3.84,s,
H,75,6.32,s,
H,76,4.39,dd,"5.6,5.4"
H,77,3.01,dd,"15.4,5.6"
H,78,3.01,dd,"15.4,5.4"
H,79,2.53,s,
H,80,2.53,s,
H,81,2.53,s,
H,82,2.78,ddd,"12.4,8.5,1.0"
H,83,2.78,ddd,"12.4,9.2,8.9"
H,84,2.85,ddd,"15.4,8.9,1.0"
H,85,2.85,ddd,"15.4,9.2,8.5"
