C,1,13.7,s,
C,2,50.7,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,14,49.44,s,
C,15,63.5,s,
C,16,85.2,s,
O,17,,,
C,18,76.57,s,
O,19,,,
C,20,57.81,s,
C,21,51.51,s,
C,22,76.45,s,
O,23,,,
C,24,40.59,s,
C,25,82.75,s,
O,26,,,
C,27,56.14,s,
C,28,38.0,s,
C,29,29.6,s,
C,30,43.5,s,
C,31,48.16,s,
C,32,75.53,s,
O,33,,,
C,34,176.11,s,
O,35,,,
C,36,34.98,s,
C,37,18.44,s,
C,38,18.44,s,
H,39,1.07,t,6.8
H,40,1.07,t,6.8
H,41,1.07,t,6.8
H,42,3.01,q,6.8
H,43,3.01,q,6.8
H,44,2.65,s,
H,45,2.65,s,
H,46,3.62,s,
H,47,3.62,s,
H,48,3.3,s,
H,49,3.3,s,
H,50,3.3,s,
H,51,1.93,ddd,"12.4,10.7,6.8"
H,52,1.93,ddd,"12.4,9.7,1.2"
H,53,1.79,m,
H,54,1.79,m,
H,55,3.43,dd,"10.0,2.0"
H,56,3.09,s,
H,57,3.09,s,
H,58,3.09,s,
H,59,3.02,s,
H,60,,,
H,61,3.92,d,2.6
H,62,3.41,s,
H,63,3.41,s,
H,64,3.41,s,
H,65,1.77,d,2.6
H,66,,,
H,67,2.69,dd,"12.4,6.9"
H,68,2.69,dd,"12.4,1.8"
H,69,3.31,ddd,"6.9,4.6,1.8"
H,70,3.27,s,
H,71,3.27,s,
H,72,3.27,s,
H,73,2.38,m,
H,74,2.04,ddd,"12.4,10.1,9.3"
H,75,2.04,ddd,"12.4,8.5,1.2"
H,76,2.08,ddd,"9.3,8.5,5.9"
H,77,3.07,dd,"5.9,4.4"
H,78,4.76,dd,"4.9,4.4"
H,79,2.54,m,6.6
H,80,1.14,d,6.6
H,81,1.14,d,6.6
H,82,1.14,d,6.6
H,83,1.14,d,6.6
H,84,1.14,d,6.6
H,85,1.14,d,6.6
