C,1,18.24,s,
C,2,35.49,s,
C,3,33.95,s,
C,4,34.8,s,
C,5,61.76,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,12,62.1,s,
C,13,29.71,s,
C,14,33.21,s,
C,15,54.17,s,
C,16,30.5,s,
C,17,41.86,s,
C,18,35.28,s,
C,19,29.71,s,
C,20,62.1,s,
C,21,35.49,s,
C,22,18.24,s,
C,23,33.95,s,
C,24,34.8,s,
C,25,61.76,s,
C,26,129.6,s,
C,27,109.8,s,
C,28,143.25,s,
O,29,,,
C,30,139.3,s,
N,31,,,
C,32,87.2,s,
O,33,,,
C,34,40.51,s,
S,35,,,
C,36,86.56,s,
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,tdd,"12.7,12.4,4.3"
H,46,4.75,dd,"12.7,3.1"
H,47,6.38,dd,"2.3,1.9"
H,48,7.39,d,2.3
H,49,7.37,d,1.9
H,50,3.6,ddd,"11.8,9.1,3.7"
H,51,1.84,m,
H,52,1.84,m,
H,53,2.05,ddd,"12.4,10.2,1.5"
H,54,2.05,ddd,"12.4,10.4,8.4"
H,55,2.05,s,
H,56,2.05,s,
H,57,1.72,ddd,"13.0,12.4,6.4"
H,58,1.72,ddd,"12.4,4.8,1.9"
H,59,1.84,m,
H,60,1.84,m,
H,61,3.6,ddd,"11.9,9.6,3.8"
H,62,2.02,m,
H,63,0.8,d,6.5
H,64,0.8,d,6.5
H,65,0.8,d,6.5
H,66,1.58,m,
H,67,1.58,m,
H,68,1.84,m,
H,69,1.84,m,
H,70,4.75,dd,"5.1,1.7"
H,71,6.38,dd,"2.4,1.9"
H,72,7.39,d,2.4
H,73,7.37,d,1.9
H,74,5.95,s,
H,75,,,
H,76,3.37,s,
H,77,3.37,s,
H,78,5.95,s,
H,79,,,
