C,1,55.45,s,
O,2,,,
C,3,146.35,s,
C,4,112.5,s,
C,5,127.3,s,
C,6,129.8,s,
C,7,111.9,s,
C,8,147.0,s,
O,9,,,
C,10,137.7,s,
C,11,138.0,s,
O,12,,,
C,13,147.1,s,
O,14,,,
C,15,56.25,s,
C,16,107.8,s,
C,17,124.1,s,
C,18,124.6,s,
C,19,59.05,s,
C,20,41.4,s,
C,21,122.7,s,
C,22,115.8,s,
C,23,110.2,s,
C,24,147.49,s,
O,25,,,
C,26,145.4,s,
C,27,132.4,s,
O,28,,,
C,29,153.95,s,
C,30,122.0,s,
C,31,130.5,s,
C,32,134.0,s,
C,33,130.5,s,
C,34,122.0,s,
C,35,39.1,s,
C,36,64.5,s,
N,37,,,
C,38,42.39,s,
C,39,47.8,s,
C,40,25.52,s,
N,41,,,
C,42,42.23,s,
C,43,43.84,s,
C,44,23.3,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,,,
H,51,3.84,s,
H,52,3.84,s,
H,53,3.84,s,
H,54,6.32,s,
H,55,4.39,dd,"10.7,5.2"
H,56,3.01,dd,"15.4,10.7"
H,57,3.01,dd,"15.4,5.2"
H,58,6.52,dd,"8.6,1.9"
H,59,6.78,dd,"8.6,0.5"
H,60,,,
H,61,4.74,dd,"1.9,0.5"
H,62,7.09,ddd,"20.4,1.9,0.5"
H,63,7.22,ddd,"20.4,1.9,0.5"
H,64,7.22,ddd,"23.6,1.9,0.5"
H,65,7.09,ddd,"23.6,1.9,0.5"
H,66,3.66,dd,"15.4,9.6"
H,67,3.66,dd,"15.4,8.7"
H,68,4.39,dd,"9.6,8.7"
H,69,2.54,s,
H,70,2.54,s,
H,71,2.54,s,
H,72,2.78,ddd,"12.4,11.1,7.3"
H,73,2.78,ddd,"12.4,8.1,1.2"
H,74,2.85,ddd,"15.4,11.1,8.1"
H,75,2.85,ddd,"15.4,7.3,1.2"
H,76,2.53,s,
H,77,2.53,s,
H,78,2.53,s,
H,79,2.78,ddd,"12.4,11.1,5.3"
H,80,2.78,ddd,"12.4,11.0,2.6"
H,81,2.85,ddd,"15.4,11.0,5.3"
H,82,2.85,ddd,"15.4,11.1,2.6"
