C,1,13.14,s,
C,2,48.08,s,
N,3,,,
C,4,56.35,s,
C,5,38.5,s,
C,6,72.44,s,
O,7,,,
C,8,58.89,s,
C,9,27.85,s,
C,10,24.85,s,
C,11,78.41,s,
O,12,,,
C,13,57.07,s,
C,14,50.27,s,
C,15,41.4,s,
C,16,36.2,s,
C,17,74.2,s,
O,18,,,
C,19,79.1,s,
O,20,,,
C,21,166.0,s,
O,22,,,
C,23,122.37,s,
C,24,123.9,s,
C,25,110.3,s,
C,26,153.0,s,
O,27,,,
C,28,55.87,s,
C,29,148.6,s,
O,30,,,
C,31,55.87,s,
C,32,112.0,s,
C,33,48.16,s,
C,34,85.8,s,
O,35,,,
C,36,170.11,s,
C,37,21.54,s,
O,38,,,
C,39,40.59,s,
C,40,83.52,s,
O,41,,,
C,42,49.1,s,
C,43,48.5,s,
C,44,61.2,s,
C,45,81.34,s,
O,46,,,
C,47,57.68,s,
C,48,51.51,s,
H,49,1.07,t,6.8
H,50,1.07,t,6.8
H,51,1.07,t,6.8
H,52,2.5,q,6.8
H,53,2.5,q,6.8
H,54,2.65,s,
H,55,2.65,s,
H,56,3.62,s,
H,57,3.62,s,
H,58,3.3,s,
H,59,3.3,s,
H,60,3.3,s,
H,61,1.93,ddd,"12.4,3.3,2.2"
H,62,1.93,ddd,"13.2,12.4,4.7"
H,63,1.79,m,
H,64,1.79,m,
H,65,3.24,dd,"12.1,3.8"
H,66,3.09,s,
H,67,3.09,s,
H,68,3.09,s,
H,69,2.08,ddd,"10.6,7.5,6.0"
H,70,1.96,dd,"12.4,10.6"
H,71,1.96,dd,"12.4,6.0"
H,72,,,
H,73,4.96,d,5.5
H,74,7.61,dd,"6.8,1.9"
H,75,6.86,dd,"6.8,0.5"
H,76,3.85,s,
H,77,3.85,s,
H,78,3.85,s,
H,79,3.8,s,
H,80,3.8,s,
H,81,3.8,s,
H,82,7.56,dd,"1.9,0.5"
H,83,2.84,dd,"7.5,5.5"
H,84,1.32,s,
H,85,1.32,s,
H,86,1.32,s,
H,87,3.0,dd,"12.4,10.2"
H,88,3.0,dd,"12.4,2.3"
H,89,4.54,dd,"10.2,2.3"
H,90,3.28,s,
H,91,3.28,s,
H,92,3.28,s,
H,93,2.42,dd,"9.2,2.0"
H,94,2.83,d,2.0
H,95,4.22,dd,"9.2,1.1"
H,96,3.27,s,
H,97,3.27,s,
H,98,3.27,s,
H,99,2.9,d,1.1
