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,10,145.43,s,
C,11,139.54,s,
O,12,,,
C,13,60.99,s,
C,14,153.49,s,
O,15,,,
C,16,56.23,s,
C,17,110.47,s,
C,18,124.1,s,
C,19,129.11,s,
C,20,59.05,s,
C,21,41.4,s,
C,22,122.7,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,36,39.1,s,
C,37,64.5,s,
N,38,,,
C,39,42.39,s,
C,40,47.8,s,
C,41,25.52,s,
N,42,,,
C,43,42.23,s,
C,44,43.84,s,
C,45,23.3,s,
H,46,3.8,s,
H,47,3.8,s,
H,48,3.8,s,
H,49,6.55,d,0.5
H,50,6.64,d,0.5
H,51,3.81,s,
H,52,3.81,s,
H,53,3.81,s,
H,54,3.87,s,
H,55,3.87,s,
H,56,3.87,s,
H,57,6.46,s,
H,58,4.39,dd,"9.8,3.1"
H,59,3.01,dd,"15.4,9.8"
H,60,3.01,dd,"15.4,3.1"
H,61,6.52,dd,"9.2,1.9"
H,62,6.78,dd,"9.2,0.5"
H,63,,,
H,64,4.74,dd,"1.9,0.5"
H,65,7.09,ddd,"22.4,1.9,0.5"
H,66,7.22,ddd,"22.4,1.9,0.5"
H,67,7.22,ddd,"23.7,1.9,0.5"
H,68,7.09,ddd,"23.7,1.9,0.5"
H,69,3.66,dd,"15.4,11.2"
H,70,3.66,dd,"15.4,5.3"
H,71,4.39,dd,"11.2,5.3"
H,72,2.54,s,
H,73,2.54,s,
H,74,2.54,s,
H,75,2.78,ddd,"12.4,7.5,1.5"
H,76,2.78,ddd,"12.4,10.8,7.8"
H,77,2.85,ddd,"15.4,10.8,7.5"
H,78,2.85,ddd,"15.4,7.8,1.5"
H,79,2.53,s,
H,80,2.53,s,
H,81,2.53,s,
H,82,2.78,ddd,"12.4,12.1,2.6"
H,83,2.78,ddd,"12.4,3.9,2.7"
H,84,2.85,ddd,"15.4,12.1,3.9"
H,85,2.85,ddd,"15.4,2.7,2.6"
