C,1,22.07,s,
C,2,24.34,s,
C,3,22.07,s,
C,4,40.36,s,
C,5,48.78,s,
N,6,,,
C,7,159.6,s,
O,8,,,
C,9,148.25,s,
C,10,123.2,s,
S,11,,,
C,12,169.65,s,
N,13,,,
C,14,48.35,s,
C,15,23.8,s,
N,16,,,
C,17,171.86,s,
O,18,,,
C,19,58.42,s,
C,20,30.25,s,
C,21,18.58,s,
C,22,18.58,s,
N,23,,,
C,24,171.56,s,
O,25,,,
C,26,60.27,s,
C,27,28.9,s,
C,28,23.93,s,
C,29,47.03,s,
N,30,,,
C,31,160.05,s,
O,32,,,
C,33,143.45,s,
C,34,140.72,s,
O,35,,,
C,36,159.87,s,
N,37,,,
C,38,143.45,s,
C,39,114.97,s,
S,40,,,
C,41,168.37,s,
N,42,,,
C,43,55.48,s,
C,44,29.71,s,
C,45,23.68,s,
C,46,47.03,s,
N,47,,,
C,48,171.17,s,
O,49,,,
H,50,0.82,d,6.4
H,51,0.82,d,6.4
H,52,0.82,d,6.4
H,53,1.62,m,"6.4,5.9"
H,54,0.82,d,6.4
H,55,0.82,d,6.4
H,56,0.82,d,6.4
H,57,1.5,dd,"6.2,5.9"
H,58,1.5,dd,"6.2,5.9"
H,59,4.6,dt,"7.0,6.2"
H,60,7.4,d,7.0
H,61,8.27,s,
H,62,4.28,dq,"7.0,6.6"
H,63,1.29,d,6.6
H,64,1.29,d,6.6
H,65,1.29,d,6.6
H,66,7.4,d,7.0
H,67,4.24,dd,"7.0,5.5"
H,68,2.16,m,"6.4,5.5"
H,69,0.86,d,6.4
H,70,0.86,d,6.4
H,71,0.86,d,6.4
H,72,0.86,d,6.4
H,73,0.86,d,6.4
H,74,0.86,d,6.4
H,75,8.05,d,7.0
H,76,4.49,dd,"12.9,3.7"
H,77,2.03,m,
H,78,2.03,m,
H,79,1.87,m,
H,80,1.87,m,
H,81,3.7,ddd,"12.4,7.8,0.7"
H,82,3.7,ddd,"12.4,12.0,8.1"
H,83,7.86,s,
H,84,6.94,s,
H,85,4.28,dd,"9.2,1.4"
H,86,1.84,ddd,"12.4,4.8,1.4"
H,87,1.84,m,
H,88,1.9,m,
H,89,1.9,m,
H,90,3.7,ddd,"12.4,4.1,1.7"
H,91,3.7,ddd,"13.5,12.4,3.9"
