C,1,29.42,s,
C,2,71.24,s,
C,3,29.42,s,
O,4,,,
C,5,135.73,s,
C,6,129.35,s,
C,7,197.92,s,
O,8,,,
C,9,77.1,s,
C,10,26.44,s,
O,11,,,
C,12,47.92,s,
C,13,72.8,s,
O,14,,,
C,15,48.02,s,
C,16,43.99,s,
C,17,17.82,s,
C,18,43.9,s,
C,19,24.1,s,
C,20,123.25,s,
C,21,149.11,s,
C,22,35.9,s,
C,23,28.16,s,
C,24,38.33,s,
C,25,,,
O,26,,,
C,27,47.47,s,
C,28,23.93,s,
C,29,23.93,s,
C,30,49.0,s,
C,31,20.3,s,
C,32,,,
O,33,,,
C,34,48.7,s,
C,35,43.99,s,
C,36,17.82,s,
H,37,1.3,s,
H,38,1.3,s,
H,39,1.3,s,
H,40,1.3,s,
H,41,1.3,s,
H,42,1.3,s,
H,43,,,
H,44,6.95,d,12.0
H,45,6.72,d,12.0
H,46,1.68,s,
H,47,1.68,s,
H,48,1.68,s,
H,49,,,
H,50,3.07,d,11.2
H,51,4.72,ddd,"11.2,9.8,5.5"
H,52,,,
H,53,2.07,dd,"12.4,9.8"
H,54,2.07,dd,"12.4,5.5"
H,55,0.99,s,
H,56,0.99,s,
H,57,0.99,s,
H,58,1.9,dd,"10.7,0.6"
H,59,2.38,ddd,"15.4,6.6,0.6"
H,60,2.38,ddd,"15.4,10.7,3.1"
H,61,5.48,dd,"6.6,3.1"
H,62,2.53,dd,"12.0,6.5"
H,63,1.58,m,
H,64,1.58,m,
H,65,2.7,ddd,"15.4,13.6,1.7"
H,66,2.7,ddd,"15.4,5.8,4.0"
H,67,1.13,s,
H,68,1.13,s,
H,69,1.13,s,
H,70,1.13,s,
H,71,1.13,s,
H,72,1.13,s,
H,73,1.29,s,
H,74,1.29,s,
H,75,1.29,s,
H,76,2.57,s,
H,77,2.57,s,
H,78,1.02,s,
H,79,1.02,s,
H,80,1.02,s,
