C,1,18.24,s,
C,2,35.49,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,14,23.79,s,
C,15,50.53,s,
C,16,30.5,s,
C,17,62.1,s,
S,18,,,
C,19,50.53,s,
C,20,30.5,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,26,60.5,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,33,62.58,s,
C,34,41.86,s,
C,35,23.79,s,
H,36,0.8,d,6.5
H,37,0.8,d,6.5
H,38,0.8,d,6.5
H,39,2.02,m,
H,40,1.58,m,
H,41,1.58,m,
H,42,1.84,m,
H,43,1.84,m,
H,44,4.75,dd,"12.2,3.8"
H,45,6.38,dd,"3.1,1.9"
H,46,7.39,d,3.1
H,47,7.37,d,1.9
H,48,3.17,s,
H,49,3.17,s,
H,50,1.13,s,
H,51,1.13,s,
H,52,1.13,s,
H,53,4.42,dd,"11.5,5.7"
H,54,2.05,ddd,"12.4,5.7,2.2"
H,55,2.05,ddd,"12.4,11.5,5.4"
H,56,3.6,ddd,"10.5,5.4,2.2"
H,57,4.42,dd,"9.5,7.2"
H,58,2.05,ddd,"12.4,9.5,8.1"
H,59,2.05,ddd,"12.4,8.7,7.2"
H,60,3.6,ddd,"8.7,8.1,6.1"
H,61,2.02,m,
H,62,0.8,d,6.5
H,63,0.8,d,6.5
H,64,0.8,d,6.5
H,65,1.58,m,
H,66,1.58,m,
H,67,1.84,m,
H,68,1.84,m,
H,69,4.75,dd,"12.0,3.5"
H,70,6.38,dd,"2.4,1.9"
H,71,7.39,d,2.4
H,72,7.37,d,1.9
H,73,3.17,s,
H,74,3.17,s,
H,75,1.13,s,
H,76,1.13,s,
H,77,1.13,s,
