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,11,120.41,s,
C,12,128.6,s,
C,13,130.9,s,
C,14,128.6,s,
C,15,120.41,s,
C,16,45.3,s,
C,17,161.4,s,
N,18,,,
C,19,46.16,s,
C,20,27.53,s,
C,21,125.03,s,
C,22,130.15,s,
C,23,108.78,s,
C,24,151.83,s,
O,25,,,
C,26,56.31,s,
C,27,139.54,s,
O,28,,,
C,29,60.99,s,
C,30,145.43,s,
O,31,,,
C,32,148.66,s,
C,33,110.33,s,
C,34,131.87,s,
C,35,125.03,s,
C,36,147.5,s,
O,37,,,
C,38,135.77,s,
O,39,,,
C,40,60.52,s,
C,41,23.0,s,
C,42,50.18,s,
N,43,,,
C,44,42.33,s,
C,45,64.8,s,
C,46,40.77,s,
H,47,3.85,s,
H,48,3.85,s,
H,49,3.85,s,
H,50,6.82,dd,"7.8,0.5"
H,51,6.59,dd,"7.8,1.9"
H,52,4.49,dd,"1.9,0.5"
H,53,7.06,ddd,"24.4,1.9,0.5"
H,54,6.92,ddd,"24.4,1.9,0.5"
H,55,6.92,ddd,"22.4,1.9,0.5"
H,56,7.06,ddd,"22.4,1.9,0.5"
H,57,4.19,s,
H,58,4.19,s,
H,59,3.5,ddd,"12.4,12.0,1.3"
H,60,3.5,ddd,"12.4,4.8,4.1"
H,61,2.9,ddd,"15.4,4.8,1.3"
H,62,2.9,ddd,"15.4,12.0,4.1"
H,63,6.81,s,
H,64,3.87,s,
H,65,3.87,s,
H,66,3.87,s,
H,67,3.81,s,
H,68,3.81,s,
H,69,3.81,s,
H,70,6.64,s,
H,71,,,
H,72,3.88,s,
H,73,3.88,s,
H,74,3.88,s,
H,75,2.59,ddd,"15.4,10.5,7.3"
H,76,2.59,ddd,"15.4,7.4,1.7"
H,77,2.78,ddd,"12.4,7.3,1.7"
H,78,2.78,ddd,"12.4,10.5,7.4"
H,79,2.54,s,
H,80,2.54,s,
H,81,2.54,s,
H,82,4.39,dd,"10.3,6.5"
H,83,3.01,dd,"15.4,6.5"
H,84,3.01,dd,"15.4,10.3"
