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,10,29.5,s,
C,11,72.2,s,
O,12,,,
C,13,49.44,s,
C,14,43.5,s,
C,15,29.6,s,
C,16,38.0,s,
C,17,82.6,s,
O,18,,,
C,19,55.6,s,
C,20,38.0,s,
C,21,85.8,s,
O,22,,,
C,23,170.11,s,
C,24,21.54,s,
O,25,,,
C,26,43.6,s,
C,27,75.4,s,
O,28,,,
C,29,169.7,s,
C,30,21.83,s,
O,31,,,
C,32,48.5,s,
C,33,81.34,s,
O,34,,,
C,35,57.68,s,
C,36,51.51,s,
C,37,60.94,s,
H,38,1.07,t,6.8
H,39,1.07,t,6.8
H,40,1.07,t,6.8
H,41,2.5,q,6.8
H,42,2.5,q,6.8
H,43,2.65,s,
H,44,2.65,s,
H,45,3.62,s,
H,46,3.62,s,
H,47,3.3,s,
H,48,3.3,s,
H,49,3.3,s,
H,50,1.8,ddd,"12.4,9.8,0.9"
H,51,1.8,ddd,"12.4,9.6,9.1"
H,52,1.68,m,
H,53,1.68,m,
H,54,3.75,dd,"4.1,3.9"
H,55,,,
H,56,2.06,ddd,"11.2,7.3,4.8"
H,57,2.04,dd,"12.4,4.8"
H,58,2.04,ddd,"12.4,11.2,8.9"
H,59,2.38,ddd,"8.9,4.0,1.0"
H,60,3.32,ddd,"9.2,4.9,1.0"
H,61,3.27,s,
H,62,3.27,s,
H,63,3.27,s,
H,64,2.91,dd,"12.4,4.9"
H,65,2.91,dd,"12.4,9.2"
H,66,1.32,s,
H,67,1.32,s,
H,68,1.32,s,
H,69,2.52,dd,"7.3,4.7"
H,70,4.85,dd,"4.7,4.0"
H,71,2.04,s,
H,72,2.04,s,
H,73,2.04,s,
H,74,2.42,dd,"1.1,0.3"
H,75,4.22,dd,"8.9,1.1"
H,76,3.27,s,
H,77,3.27,s,
H,78,3.27,s,
H,79,2.9,d,8.9
H,80,2.83,d,0.3
