C,1,13.2,s,
C,2,48.5,s,
N,3,,,
C,4,47.5,s,
C,5,43.11,s,
C,6,77.1,s,
O,7,,,
C,8,58.53,s,
C,9,47.89,s,
C,10,82.2,s,
O,11,,,
C,12,57.8,s,
C,13,48.5,s,
C,14,61.2,s,
C,15,50.1,s,
C,16,83.7,s,
O,17,,,
C,18,56.17,s,
C,19,34.1,s,
C,20,71.4,s,
O,21,,,
C,22,41.4,s,
C,23,36.2,s,
C,24,74.2,s,
O,25,,,
C,26,83.52,s,
O,27,,,
C,28,49.1,s,
C,29,40.59,s,
C,30,82.84,s,
O,31,,,
C,32,48.6,s,
C,33,48.16,s,
C,34,79.1,s,
O,35,,,
C,36,166.0,s,
O,37,,,
C,38,122.37,s,
C,39,123.9,s,
C,40,110.3,s,
C,41,153.0,s,
O,42,,,
C,43,55.87,s,
C,44,148.6,s,
O,45,,,
C,46,55.87,s,
C,47,112.0,s,
H,48,1.07,t,6.8
H,49,1.07,t,6.8
H,50,1.07,t,6.8
H,51,2.5,q,6.8
H,52,2.5,q,6.8
H,53,2.82,s,
H,54,2.82,s,
H,55,3.61,s,
H,56,3.61,s,
H,57,3.15,s,
H,58,3.15,s,
H,59,3.15,s,
H,60,3.02,d,9.3
H,61,4.08,dd,"9.3,0.7"
H,62,3.2,s,
H,63,3.2,s,
H,64,3.2,s,
H,65,2.42,dd,"1.9,0.7"
H,66,2.83,d,1.9
H,67,3.13,dd,"6.5,2.2"
H,68,3.19,s,
H,69,3.19,s,
H,70,3.19,s,
H,71,2.11,ddd,"12.4,4.4,2.2"
H,72,2.11,ddd,"12.4,10.5,6.5"
H,73,3.78,dd,"10.5,4.4"
H,74,,,
H,75,2.08,ddd,"13.7,10.1,6.4"
H,76,1.96,dd,"13.7,12.4"
H,77,1.96,dd,"12.4,6.4"
H,78,,,
H,79,4.54,dd,"9.4,4.0"
H,80,3.28,s,
H,81,3.28,s,
H,82,3.28,s,
H,83,3.0,dd,"12.4,9.4"
H,84,3.0,dd,"12.4,4.0"
H,85,3.31,s,
H,86,3.31,s,
H,87,3.31,s,
H,88,2.84,dd,"10.1,2.2"
H,89,4.96,d,2.2
H,90,7.61,dd,"8.6,1.9"
H,91,6.86,dd,"8.6,0.5"
H,92,3.85,s,
H,93,3.85,s,
H,94,3.85,s,
H,95,3.8,s,
H,96,3.8,s,
H,97,3.8,s,
H,98,7.56,dd,"1.9,0.5"
