C,1,19.3,s,
C,2,35.8,s,
C,3,33.95,s,
C,4,34.8,s,
C,5,60.5,s,
C,6,129.6,s,
C,7,109.8,s,
C,8,143.25,s,
O,9,,,
C,10,139.3,s,
N,11,,,
C,12,49.05,s,
C,13,,,
C,14,30.5,s,
C,15,29.71,s,
C,16,69.0,s,
C,17,30.5,s,
C,18,41.86,s,
C,19,35.28,s,
C,20,29.71,s,
C,21,62.1,s,
C,22,35.49,s,
C,23,18.24,s,
C,24,33.95,s,
C,25,34.8,s,
C,26,61.76,s,
C,27,129.6,s,
C,28,109.8,s,
C,29,143.25,s,
O,30,,,
C,31,139.3,s,
N,32,,,
C,33,87.2,s,
O,34,,,
C,35,42.92,s,
S,36,,,
O,37,,,
H,38,0.8,d,6.5
H,39,0.8,d,6.5
H,40,0.8,d,6.5
H,41,2.02,m,
H,42,1.58,m,
H,43,1.58,m,
H,44,1.84,m,
H,45,1.84,m,
H,46,4.75,dd,"7.7,1.5"
H,47,6.38,dd,"2.7,1.9"
H,48,7.39,d,2.7
H,49,7.37,d,1.9
H,50,3.58,s,
H,51,3.58,s,
H,52,2.05,ddd,"12.4,11.8,3.0"
H,53,2.05,ddd,"12.4,11.6,4.2"
H,54,1.84,m,
H,55,1.84,m,
H,56,3.6,ddd,"11.3,9.5,6.3"
H,57,2.05,s,
H,58,2.05,s,
H,59,1.72,ddd,"12.4,7.1,1.7"
H,60,1.72,ddd,"12.6,12.4,5.6"
H,61,1.84,m,
H,62,1.84,m,
H,63,3.6,ddd,"10.5,9.3,7.0"
H,64,2.02,m,
H,65,0.8,d,6.5
H,66,0.8,d,6.5
H,67,0.8,d,6.5
H,68,1.58,m,
H,69,1.58,m,
H,70,1.84,m,
H,71,1.84,m,
H,72,4.75,dd,"6.1,1.8"
H,73,6.38,dd,"2.4,1.9"
H,74,7.39,d,2.4
H,75,7.37,d,1.9
H,76,5.95,s,
H,77,,,
H,78,4.76,s,
H,79,4.76,s,
