C,1,55.82,s,
O,2,,,
C,3,152.09,s,
C,4,111.52,s,
C,5,129.67,s,
C,6,138.21,s,
C,7,127.72,s,
C,8,124.41,s,
C,9,34.69,s,
C,10,125.03,s,
C,11,144.84,s,
O,12,,,
C,13,60.36,s,
C,14,148.96,s,
O,15,,,
C,16,55.93,s,
C,17,111.02,s,
C,18,128.8,s,
C,19,130.1,s,
C,20,60.72,s,
C,21,40.92,s,
C,22,127.97,s,
C,23,115.8,s,
C,24,110.2,s,
C,25,147.49,s,
O,26,,,
C,27,145.4,s,
C,28,132.4,s,
O,29,,,
C,30,153.95,s,
C,31,122.0,s,
C,32,130.5,s,
C,33,134.0,s,
C,34,130.5,s,
C,35,122.0,s,
C,36,39.73,s,
C,37,64.47,s,
N,38,,,
C,39,42.39,s,
C,40,49.63,s,
C,41,28.2,s,
N,42,,,
C,43,42.81,s,
C,44,49.63,s,
C,45,28.19,s,
H,46,3.79,s,
H,47,3.79,s,
H,48,3.79,s,
H,49,6.94,d,0.5
H,50,7.2,d,0.5
H,51,2.72,s,
H,52,2.72,s,
H,53,3.78,s,
H,54,3.78,s,
H,55,3.78,s,
H,56,3.81,s,
H,57,3.81,s,
H,58,3.81,s,
H,59,6.66,s,
H,60,4.39,dd,"11.4,1.6"
H,61,3.01,dd,"15.4,11.4"
H,62,3.01,dd,"15.4,1.6"
H,63,6.52,dd,"9.0,1.9"
H,64,6.78,dd,"9.0,0.5"
H,65,,,
H,66,4.74,dd,"1.9,0.5"
H,67,7.09,ddd,"22.9,1.9,0.5"
H,68,7.22,ddd,"22.9,1.9,0.5"
H,69,7.22,ddd,"26.1,1.9,0.5"
H,70,7.09,ddd,"26.1,1.9,0.5"
H,71,3.66,dd,"15.4,4.8"
H,72,3.66,dd,"15.4,14.2"
H,73,4.39,dd,"14.2,4.8"
H,74,2.54,s,
H,75,2.54,s,
H,76,2.54,s,
H,77,2.78,ddd,"12.4,7.2,1.6"
H,78,2.78,ddd,"12.4,11.9,6.3"
H,79,2.85,ddd,"15.4,6.3,1.6"
H,80,2.85,ddd,"15.4,11.9,7.2"
H,81,2.54,s,
H,82,2.54,s,
H,83,2.54,s,
H,84,2.78,ddd,"12.4,10.7,1.0"
H,85,2.78,ddd,"12.4,4.5,1.4"
H,86,2.85,ddd,"15.4,10.7,1.4"
H,87,2.85,ddd,"15.4,4.5,1.0"
