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,12,62.58,s,
C,13,41.86,s,
C,14,35.28,s,
C,15,29.71,s,
C,16,69.0,s,
C,17,40.51,s,
S,18,,,
C,19,54.17,s,
C,20,33.21,s,
C,21,29.71,s,
C,22,62.1,s,
C,23,35.49,s,
C,24,18.24,s,
C,25,33.95,s,
C,26,34.8,s,
C,27,61.76,s,
C,28,129.6,s,
C,29,109.8,s,
C,30,143.25,s,
O,31,,,
C,32,139.3,s,
N,33,,,
C,34,86.56,s,
O,35,,,
C,36,30.5,s,
H,37,0.8,d,6.5
H,38,0.8,d,6.5
H,39,0.8,d,6.5
H,40,2.02,m,
H,41,1.58,m,
H,42,1.58,m,
H,43,1.84,m,
H,44,1.84,m,
H,45,4.75,dd,"3.7,1.2"
H,46,6.38,dd,"2.1,1.9"
H,47,7.39,d,2.1
H,48,7.37,d,1.9
H,49,3.17,s,
H,50,3.17,s,
H,51,1.72,td,"12.4,2.0"
H,52,1.72,ddd,"12.4,6.0,0.2"
H,53,1.84,tdd,"12.4,6.6,0.2"
H,54,1.84,m,
H,55,3.6,ddd,"8.7,6.6,1.4"
H,56,3.37,s,
H,57,3.37,s,
H,58,2.05,ddd,"12.4,5.1,3.1"
H,59,2.05,ddd,"13.5,12.4,5.4"
H,60,1.84,m,
H,61,1.84,m,
H,62,3.6,ddd,"9.1,6.7,1.3"
H,63,2.02,tqd,"9.1,6.5,6.2"
H,64,0.8,d,6.5
H,65,0.8,d,6.5
H,66,0.8,d,6.5
H,67,1.58,m,
H,68,1.58,m,
H,69,1.84,m,
H,70,1.84,m,
H,71,4.75,dd,"12.5,3.5"
H,72,6.38,dd,"2.4,1.9"
H,73,7.39,d,2.4
H,74,7.37,d,1.9
H,75,5.95,s,
H,76,,,
H,77,2.05,s,
H,78,2.05,s,
