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,10,29.5,s,
C,11,72.2,s,
O,12,,,
C,13,47.5,s,
C,14,63.5,s,
C,15,85.2,s,
O,16,,,
C,17,76.57,s,
O,18,,,
C,19,57.81,s,
C,20,51.51,s,
C,21,80.8,s,
O,22,,,
C,23,52.9,s,
C,24,28.6,s,
C,25,82.8,s,
O,26,,,
C,27,56.5,s,
C,28,38.0,s,
C,29,29.6,s,
C,30,43.2,s,
C,31,43.8,s,
C,32,75.7,s,
O,33,,,
C,34,171.0,s,
C,35,21.83,s,
O,36,,,
H,37,1.07,t,6.8
H,38,1.07,t,6.8
H,39,1.07,t,6.8
H,40,3.01,q,6.8
H,41,3.01,q,6.8
H,42,2.65,s,
H,43,2.65,s,
H,44,3.62,s,
H,45,3.62,s,
H,46,3.3,s,
H,47,3.3,s,
H,48,3.3,s,
H,49,1.8,ddd,"12.4,3.3,2.2"
H,50,1.8,ddd,"13.4,12.4,5.8"
H,51,1.68,m,
H,52,1.68,m,
H,53,3.75,dd,"11.8,3.0"
H,54,,,
H,55,2.96,s,
H,56,,,
H,57,3.93,d,9.1
H,58,3.41,s,
H,59,3.41,s,
H,60,3.41,s,
H,61,1.9,d,9.1
H,62,3.31,s,
H,63,3.31,s,
H,64,3.31,s,
H,65,2.27,dd,"12.4,7.8"
H,66,2.27,dd,"12.4,7.5"
H,67,3.32,ddd,"7.8,7.5,3.4"
H,68,3.27,s,
H,69,3.27,s,
H,70,3.27,s,
H,71,2.38,m,
H,72,2.04,ddd,"12.4,10.4,10.3"
H,73,2.04,ddd,"12.4,7.1,0.8"
H,74,2.06,ddd,"10.4,7.1,5.7"
H,75,2.52,dd,"5.7,5.3"
H,76,4.85,dd,"5.3,5.0"
H,77,2.04,s,
H,78,2.04,s,
H,79,2.04,s,
