C,1,18.38,s,
C,2,30.56,s,
C,3,18.38,s,
C,4,57.53,s,
N,5,,,
C,6,162.36,s,
O,7,,,
C,8,57.53,s,
N,9,,,
C,10,167.6,s,
O,11,,,
C,12,74.58,s,
C,13,18.14,s,
C,14,57.53,s,
C,15,29.71,s,
C,16,23.68,s,
C,17,47.03,s,
N,18,,,
C,19,169.5,s,
O,20,,,
C,21,57.53,s,
C,22,32.8,s,
C,23,134.98,s,
C,24,129.1,s,
C,25,128.8,s,
C,26,126.94,s,
C,27,128.8,s,
C,28,129.1,s,
N,29,,,
C,30,162.36,s,
O,31,,,
C,32,57.53,s,
C,33,34.51,s,
S,34,,,
C,35,158.41,s,
N,36,,,
C,37,57.53,s,
C,38,32.8,s,
C,39,134.98,s,
C,40,129.1,s,
C,41,128.8,s,
C,42,126.94,s,
C,43,128.8,s,
C,44,129.1,s,
N,45,,,
C,46,162.36,s,
O,47,,,
C,48,57.53,s,
C,49,34.51,s,
S,50,,,
C,51,158.41,s,
N,52,,,
H,53,0.88,d,6.4
H,54,0.88,d,6.4
H,55,0.88,d,6.4
H,56,2.09,m,"6.4,5.4"
H,57,0.88,d,6.4
H,58,0.88,d,6.4
H,59,0.88,d,6.4
H,60,4.28,d,5.4
H,61,,,
H,62,4.6,d,4.9
H,63,4.92,qd,"6.1,4.9"
H,64,1.3,d,6.1
H,65,1.3,d,6.1
H,66,1.3,d,6.1
H,67,4.28,dd,"9.7,1.9"
H,68,1.84,m,
H,69,1.84,m,
H,70,1.9,m,
H,71,1.9,m,
H,72,3.7,ddd,"12.4,8.0,0.8"
H,73,3.7,ddd,"12.4,12.1,8.1"
H,74,3.58,t,6.2
H,75,3.5,d,6.2
H,76,3.5,d,6.2
H,77,7.25,m,
H,78,7.24,m,
H,79,7.22,ddt,"7.9,7.1,1.4"
H,80,7.24,m,
H,81,7.25,m,
H,82,,,
H,83,4.28,dd,"9.5,2.9"
H,84,3.23,dd,"12.4,2.9"
H,85,3.23,dd,"12.4,9.5"
H,86,4.28,t,6.3
H,87,3.5,d,6.3
H,88,3.5,d,6.3
H,89,7.25,m,
H,90,7.24,m,
H,91,7.22,ddt,"7.6,6.9,1.4"
H,92,7.24,m,
H,93,7.25,m,
H,94,,,
H,95,4.28,dd,"12.2,6.0"
H,96,3.23,dd,"12.4,12.2"
H,97,3.23,dd,"12.4,6.0"
