C,1,55.54,s,
O,2,,,
C,3,162.13,s,
C,4,112.36,s,
C,5,129.13,s,
C,6,125.15,s,
C,7,156.64,s,
C,8,98.99,s,
O,9,,,
C,10,145.43,s,
C,11,142.1,s,
O,12,,,
C,13,61.43,s,
C,14,136.3,s,
O,15,,,
C,16,61.6,s,
C,17,147.5,s,
O,18,,,
C,19,125.03,s,
C,20,125.15,s,
C,21,59.05,s,
C,22,41.4,s,
C,23,127.97,s,
C,24,121.5,s,
C,25,111.61,s,
C,26,150.0,s,
O,27,,,
C,28,56.0,s,
C,29,147.0,s,
C,30,110.67,s,
O,31,,,
C,32,155.6,s,
C,33,116.7,s,
C,34,124.1,s,
C,35,132.34,s,
C,36,124.1,s,
C,37,116.7,s,
C,38,39.3,s,
C,39,59.05,s,
N,40,,,
C,41,42.23,s,
C,42,43.84,s,
C,43,22.5,s,
N,44,,,
C,45,42.23,s,
C,46,50.18,s,
C,47,23.0,s,
H,48,3.8,s,
H,49,3.8,s,
H,50,3.8,s,
H,51,6.75,d,1.9
H,52,6.48,d,1.9
H,53,3.83,s,
H,54,3.83,s,
H,55,3.83,s,
H,56,3.83,s,
H,57,3.83,s,
H,58,3.83,s,
H,59,,,
H,60,4.39,dd,"10.8,7.0"
H,61,3.01,dd,"15.4,10.8"
H,62,3.01,dd,"15.4,7.0"
H,63,6.59,dd,"7.5,1.9"
H,64,6.82,dd,"7.5,0.5"
H,65,3.85,s,
H,66,3.85,s,
H,67,3.85,s,
H,68,4.49,dd,"1.9,0.5"
H,69,7.09,ddd,"22.3,1.9,0.5"
H,70,7.22,ddd,"22.3,1.9,0.5"
H,71,7.22,ddd,"22.6,1.9,0.5"
H,72,7.09,ddd,"22.6,1.9,0.5"
H,73,4.97,dd,"15.4,5.4"
H,74,4.97,dd,"15.4,11.2"
H,75,4.39,dd,"11.2,5.4"
H,76,2.53,s,
H,77,2.53,s,
H,78,2.53,s,
H,79,2.78,ddd,"12.4,10.6,3.9"
H,80,2.78,ddd,"12.4,11.8,4.7"
H,81,2.85,ddd,"15.4,10.6,4.7"
H,82,2.85,ddd,"15.4,11.8,3.9"
H,83,2.53,s,
H,84,2.53,s,
H,85,2.53,s,
H,86,2.78,ddd,"12.4,7.3,1.5"
H,87,2.78,ddd,"12.4,10.6,8.3"
H,88,2.59,ddd,"15.4,10.6,7.3"
H,89,2.59,ddd,"15.4,8.3,1.5"
