C,1,20.79,s,
C,2,169.89,s,
O,3,,,
O,4,,,
C,5,76.9,s,
C,6,79.25,s,
O,7,,,
C,8,169.84,s,
C,9,21.01,s,
O,10,,,
C,11,47.92,s,
C,12,81.82,s,
C,13,25.61,s,
C,14,25.61,s,
O,15,,,
C,16,169.6,s,
O,17,,,
C,18,35.4,s,
C,19,78.41,s,
O,20,,,
C,21,170.18,s,
C,22,21.24,s,
O,23,,,
C,24,42.47,s,
C,25,13.85,s,
C,26,39.43,s,
C,27,16.6,s,
C,28,32.1,s,
C,29,47.4,s,
C,30,20.1,s,
C,31,159.6,s,
C,32,120.1,s,
C,33,34.3,s,
C,34,51.5,s,
C,35,124.3,s,
C,36,111.0,s,
C,37,142.7,s,
O,38,,,
C,39,139.7,s,
C,40,46.0,s,
C,41,20.0,s,
H,42,2.0,s,
H,43,2.0,s,
H,44,2.0,s,
H,45,4.77,d,3.9
H,46,4.66,dd,"3.9,2.3"
H,47,2.03,s,
H,48,2.03,s,
H,49,2.03,s,
H,50,3.07,d,2.3
H,51,1.34,s,
H,52,1.34,s,
H,53,1.34,s,
H,54,1.34,s,
H,55,1.34,s,
H,56,1.34,s,
H,57,3.16,dd,"13.4,4.7"
H,58,3.16,dd,"13.4,3.2"
H,59,4.77,dd,"4.7,3.2"
H,60,2.01,s,
H,61,2.01,s,
H,62,2.01,s,
H,63,1.18,s,
H,64,1.18,s,
H,65,1.18,s,
H,66,2.59,dd,"11.0,1.2"
H,67,1.45,m,
H,68,1.45,m,
H,69,1.85,ddd,"12.4,9.7,2.1"
H,70,1.85,ddd,"12.4,9.5,9.2"
H,71,0.79,s,
H,72,0.79,s,
H,73,0.79,s,
H,74,5.46,dd,"4.9,2.8"
H,75,2.36,ddd,"12.4,4.9,1.3"
H,76,2.36,ddd,"12.4,9.5,2.8"
H,77,2.85,dd,"9.5,1.3"
H,78,6.28,dd,"2.6,1.9"
H,79,7.25,d,2.6
H,80,7.39,d,1.9
H,81,1.31,s,
H,82,1.31,s,
H,83,1.31,s,
