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,9,71.4,s,
O,10,,,
C,11,34.1,s,
C,12,83.7,s,
O,13,,,
C,14,56.17,s,
C,15,50.1,s,
C,16,47.89,s,
C,17,82.2,s,
O,18,,,
C,19,57.8,s,
C,20,48.5,s,
C,21,61.2,s,
C,22,82.84,s,
O,23,,,
C,24,48.6,s,
C,25,40.59,s,
C,26,83.52,s,
O,27,,,
C,28,49.1,s,
C,29,74.2,s,
O,30,,,
C,31,36.2,s,
C,32,41.4,s,
C,33,48.16,s,
C,34,79.1,s,
O,35,,,
C,36,166.26,s,
O,37,,,
C,38,123.71,s,
C,39,131.99,s,
C,40,113.7,s,
C,41,163.46,s,
O,42,,,
C,43,55.32,s,
C,44,113.7,s,
C,45,131.99,s,
H,46,1.07,t,6.8
H,47,1.07,t,6.8
H,48,1.07,t,6.8
H,49,2.5,q,6.8
H,50,2.5,q,6.8
H,51,2.82,s,
H,52,2.82,s,
H,53,3.61,s,
H,54,3.61,s,
H,55,3.15,s,
H,56,3.15,s,
H,57,3.15,s,
H,58,3.78,dd,"3.4,2.8"
H,59,,,
H,60,2.11,ddd,"12.4,6.8,3.4"
H,61,2.11,ddd,"12.4,2.8,2.6"
H,62,3.13,dd,"6.8,2.6"
H,63,3.19,s,
H,64,3.19,s,
H,65,3.19,s,
H,66,3.02,d,8.9
H,67,4.08,dd,"8.9,0.9"
H,68,3.2,s,
H,69,3.2,s,
H,70,3.2,s,
H,71,2.42,dd,"1.5,0.9"
H,72,2.83,d,1.5
H,73,3.31,s,
H,74,3.31,s,
H,75,3.31,s,
H,76,3.0,dd,"12.4,4.4"
H,77,3.0,dd,"12.4,9.4"
H,78,4.54,dd,"9.4,4.4"
H,79,3.28,s,
H,80,3.28,s,
H,81,3.28,s,
H,82,,,
H,83,1.96,dd,"12.4,5.4"
H,84,1.96,dd,"14.0,12.4"
H,85,2.08,ddd,"14.0,10.1,5.4"
H,86,2.84,dd,"10.1,2.2"
H,87,4.96,d,2.2
H,88,7.94,ddd,"6.5,1.9,0.5"
H,89,6.88,ddd,"6.5,1.9,0.5"
H,90,3.76,s,
H,91,3.76,s,
H,92,3.76,s,
H,93,6.88,ddd,"7.3,1.9,0.5"
H,94,7.94,ddd,"7.3,1.9,0.5"
