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,31,145.43,s,
C,32,142.1,s,
O,33,,,
C,34,61.43,s,
C,35,136.3,s,
O,36,,,
C,37,61.6,s,
C,38,147.5,s,
O,39,,,
C,40,125.03,s,
C,41,125.15,s,
C,42,59.05,s,
C,43,41.4,s,
N,44,,,
C,45,42.23,s,
C,46,50.18,s,
C,47,23.0,s,
H,48,3.85,s,
H,49,3.85,s,
H,50,3.85,s,
H,51,6.82,dd,"8.4,0.5"
H,52,6.59,dd,"8.4,1.9"
H,53,4.49,dd,"1.9,0.5"
H,54,7.09,ddd,"19.0,1.9,0.5"
H,55,7.22,ddd,"19.0,1.9,0.5"
H,56,7.22,ddd,"28.8,1.9,0.5"
H,57,7.09,ddd,"28.8,1.9,0.5"
H,58,3.66,dd,"15.4,7.1"
H,59,3.66,dd,"15.4,10.3"
H,60,4.39,dd,"10.3,7.1"
H,61,6.64,d,0.5
H,62,3.8,s,
H,63,3.8,s,
H,64,3.8,s,
H,65,6.55,d,0.5
H,66,2.85,ddd,"15.4,11.3,5.7"
H,67,2.85,ddd,"15.4,10.8,2.7"
H,68,2.78,ddd,"12.4,11.3,2.7"
H,69,2.78,ddd,"12.4,10.8,5.7"
H,70,2.54,s,
H,71,2.54,s,
H,72,2.54,s,
H,73,3.83,s,
H,74,3.83,s,
H,75,3.83,s,
H,76,3.83,s,
H,77,3.83,s,
H,78,3.83,s,
H,79,,,
H,80,4.39,dd,"11.9,4.7"
H,81,3.01,dd,"15.4,11.9"
H,82,3.01,dd,"15.4,4.7"
H,83,2.53,s,
H,84,2.53,s,
H,85,2.53,s,
H,86,2.78,ddd,"12.4,10.9,3.6"
H,87,2.78,ddd,"12.4,11.6,3.3"
H,88,2.59,ddd,"15.4,10.9,3.3"
H,89,2.59,ddd,"15.4,11.6,3.6"
