C,1,13.2,s,
C,2,47.94,s,
N,3,,,
C,4,48.06,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,16,41.4,s,
C,17,36.2,s,
C,18,74.2,s,
O,19,,,
C,20,83.52,s,
O,21,,,
C,22,49.1,s,
C,23,40.59,s,
C,24,77.48,s,
O,25,,,
C,26,48.16,s,
C,27,79.1,s,
O,28,,,
C,29,166.26,s,
O,30,,,
C,31,123.71,s,
C,32,131.99,s,
C,33,113.7,s,
C,34,163.46,s,
O,35,,,
C,36,55.32,s,
C,37,113.7,s,
C,38,131.99,s,
C,39,46.79,s,
C,40,82.2,s,
O,41,,,
C,42,58.31,s,
C,43,47.89,s,
C,44,60.94,s,
H,45,1.07,t,6.8
H,46,1.07,t,6.8
H,47,1.07,t,6.8
H,48,2.5,q,6.8
H,49,2.5,q,6.8
H,50,2.82,s,
H,51,2.82,s,
H,52,3.61,s,
H,53,3.61,s,
H,54,3.15,s,
H,55,3.15,s,
H,56,3.15,s,
H,57,3.78,dd,"10.9,3.5"
H,58,,,
H,59,2.11,ddd,"12.4,11.5,10.9"
H,60,2.11,ddd,"12.4,6.7,3.5"
H,61,3.13,dd,"11.5,6.7"
H,62,3.19,s,
H,63,3.19,s,
H,64,3.19,s,
H,65,2.08,ddd,"11.1,7.5,6.4"
H,66,1.96,dd,"12.4,11.1"
H,67,1.96,dd,"12.4,6.4"
H,68,,,
H,69,4.54,dd,"10.3,2.5"
H,70,3.28,s,
H,71,3.28,s,
H,72,3.28,s,
H,73,2.27,dd,"12.4,2.5"
H,74,2.27,dd,"12.4,10.3"
H,75,,,
H,76,2.52,dd,"7.5,6.6"
H,77,4.96,d,6.6
H,78,7.94,ddd,"6.8,1.9,0.5"
H,79,6.88,ddd,"6.8,1.9,0.5"
H,80,3.76,s,
H,81,3.76,s,
H,82,3.76,s,
H,83,6.88,ddd,"7.3,1.9,0.5"
H,84,7.94,ddd,"7.3,1.9,0.5"
H,85,2.42,dd,"1.3,1.1"
H,86,4.08,dd,"7.5,1.1"
H,87,3.2,s,
H,88,3.2,s,
H,89,3.2,s,
H,90,3.02,d,7.5
H,91,2.83,d,1.3
