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,14,60.94,s,
C,15,46.79,s,
C,16,81.34,s,
O,17,,,
C,18,57.68,s,
C,19,51.51,s,
C,20,77.48,s,
O,21,,,
C,22,40.59,s,
C,23,82.75,s,
O,24,,,
C,25,56.14,s,
C,26,44.7,s,
C,27,28.4,s,
C,28,39.0,s,
C,29,48.16,s,
C,30,75.53,s,
O,31,,,
C,32,165.7,s,
O,33,,,
C,34,123.71,s,
C,35,131.99,s,
C,36,113.7,s,
C,37,163.46,s,
O,38,,,
C,39,55.32,s,
C,40,113.7,s,
C,41,131.99,s,
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,54,1.8,ddd,"18.0,12.4,9.7"
H,55,1.8,ddd,"12.4,10.5,2.2"
H,56,1.68,m,
H,57,1.68,m,
H,58,3.75,dd,"17.4,9.1"
H,59,,,
H,60,2.83,d,4.9
H,61,2.42,dd,"4.9,2.9"
H,62,4.22,dd,"15.0,2.9"
H,63,3.27,s,
H,64,3.27,s,
H,65,3.27,s,
H,66,2.9,d,15.0
H,67,,,
H,68,2.27,dd,"16.7,12.4"
H,69,2.27,dd,"12.4,8.5"
H,70,3.32,ddd,"16.7,8.5,3.3"
H,71,3.27,s,
H,72,3.27,s,
H,73,3.27,s,
H,74,2.42,m,
H,75,2.3,ddd,"16.7,12.4,6.0"
H,76,2.3,ddd,"14.6,12.4,11.6"
H,77,2.29,ddd,"16.7,11.6,1.7"
H,78,2.52,dd,"15.0,1.7"
H,79,4.85,dd,"15.0,2.7"
H,80,7.94,ddd,"7.5,1.9,0.5"
H,81,6.88,ddd,"7.5,1.9,0.5"
H,82,3.76,s,
H,83,3.76,s,
H,84,3.76,s,
H,85,6.88,ddd,"7.5,1.9,0.5"
H,86,7.94,ddd,"7.5,1.9,0.5"
