C,1,55.45,s,
O,2,,,
C,3,146.35,s,
C,4,112.5,s,
C,5,126.03,s,
C,6,129.88,s,
C,7,111.9,s,
C,8,147.0,s,
O,9,,,
C,10,145.43,s,
C,11,137.88,s,
O,12,,,
C,13,61.43,s,
C,14,152.36,s,
O,15,,,
C,16,114.6,s,
C,17,129.13,s,
C,18,129.11,s,
C,19,58.5,s,
C,20,39.3,s,
C,21,132.34,s,
C,22,124.1,s,
C,23,122.0,s,
C,24,153.95,s,
C,25,122.0,s,
C,26,124.1,s,
O,27,,,
C,28,145.4,s,
C,29,132.4,s,
C,30,127.97,s,
C,31,115.8,s,
C,32,110.2,s,
C,33,147.49,s,
O,34,,,
C,35,40.4,s,
C,36,65.5,s,
N,37,,,
C,38,42.27,s,
C,39,46.63,s,
C,40,25.52,s,
N,41,,,
C,42,41.9,s,
C,43,43.84,s,
C,44,22.5,s,
H,45,3.8,s,
H,46,3.8,s,
H,47,3.8,s,
H,48,6.55,d,0.5
H,49,6.64,d,0.5
H,50,3.95,s,
H,51,3.95,s,
H,52,3.95,s,
H,53,,,
H,54,6.63,s,
H,55,4.39,dd,"9.1,2.6"
H,56,4.97,dd,"15.4,2.6"
H,57,4.97,dd,"15.4,9.1"
H,58,7.22,ddd,"27.5,1.9,0.5"
H,59,7.09,ddd,"27.5,1.9,0.5"
H,60,7.09,ddd,"24.6,1.9,0.5"
H,61,7.22,ddd,"24.6,1.9,0.5"
H,62,4.74,dd,"1.9,0.5"
H,63,6.52,dd,"7.6,1.9"
H,64,6.78,dd,"7.6,0.5"
H,65,,,
H,66,3.01,dd,"15.4,2.9"
H,67,3.01,dd,"15.4,13.4"
H,68,4.39,dd,"13.4,2.9"
H,69,2.54,s,
H,70,2.54,s,
H,71,2.54,s,
H,72,2.78,ddd,"12.4,9.3,8.8"
H,73,2.78,ddd,"12.4,10.7,1.4"
H,74,2.85,ddd,"15.4,8.8,1.4"
H,75,2.85,ddd,"15.4,10.7,9.3"
H,76,2.53,s,
H,77,2.53,s,
H,78,2.53,s,
H,79,2.78,ddd,"12.4,11.0,4.4"
H,80,2.78,ddd,"12.4,11.2,2.7"
H,81,2.85,ddd,"15.4,11.0,2.7"
H,82,2.85,ddd,"15.4,11.2,4.4"
