C,1,13.0,s,
C,2,48.4,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,14,49.0,s,
C,15,39.0,s,
C,16,28.4,s,
C,17,44.7,s,
C,18,82.6,s,
O,19,,,
C,20,55.6,s,
C,21,37.66,s,
C,22,82.84,s,
O,23,,,
C,24,165.7,s,
O,25,,,
C,26,132.31,s,
C,27,129.41,s,
C,28,128.12,s,
C,29,133.32,s,
C,30,128.12,s,
C,31,129.41,s,
C,32,39.1,s,
C,33,23.7,s,
C,34,41.1,s,
C,35,63.7,s,
C,36,43.6,s,
C,37,75.4,s,
O,38,,,
C,39,169.7,s,
C,40,21.83,s,
O,41,,,
H,42,1.07,t,6.8
H,43,1.07,t,6.8
H,44,1.07,t,6.8
H,45,2.5,q,6.8
H,46,2.5,q,6.8
H,47,2.65,s,
H,48,2.65,s,
H,49,3.62,s,
H,50,3.62,s,
H,51,3.3,s,
H,52,3.3,s,
H,53,3.3,s,
H,54,1.89,ddd,"12.4,4.4,2.1"
H,55,1.89,ddd,"12.9,12.4,4.5"
H,56,1.83,m,
H,57,1.83,m,
H,58,4.77,dd,"11.3,6.5"
H,59,3.11,s,
H,60,3.11,s,
H,61,3.11,s,
H,62,2.29,ddd,"9.4,8.9,5.4"
H,63,2.3,ddd,"12.4,8.9,1.1"
H,64,2.3,ddd,"12.4,10.1,9.4"
H,65,2.42,m,
H,66,3.32,ddd,"7.8,5.0,1.2"
H,67,3.27,s,
H,68,3.27,s,
H,69,3.27,s,
H,70,2.91,dd,"12.4,1.2"
H,71,2.91,dd,"12.4,7.8"
H,72,8.03,m,
H,73,7.46,m,
H,74,7.57,tt,"7.9,1.4"
H,75,7.46,m,
H,76,8.03,m,
H,77,5.28,ddd,"10.2,1.5,0.6"
H,78,1.66,ddd,"12.4,10.2,2.1"
H,79,1.66,ddd,"12.4,10.0,0.6"
H,80,2.11,dd,"10.0,2.1"
H,81,3.54,d,1.5
H,82,2.52,dd,"5.4,4.7"
H,83,4.85,dd,"4.7,3.9"
H,84,2.04,s,
H,85,2.04,s,
H,86,2.04,s,
