C,1,13.67,s,
C,2,47.73,s,
N,3,,,
C,4,60.58,s,
C,5,77.48,s,
O,6,,,
C,7,165.89,s,
O,8,,,
C,9,115.59,s,
C,10,130.89,s,
C,11,120.26,s,
C,12,134.2,s,
C,13,119.9,s,
C,14,141.3,s,
N,15,,,
C,16,168.0,s,
C,17,25.1,s,
O,18,,,
C,19,35.22,s,
C,20,25.79,s,
C,21,78.41,s,
O,22,,,
C,23,57.07,s,
C,24,49.0,s,
C,25,52.87,s,
C,26,37.71,s,
C,27,77.48,s,
O,28,,,
C,29,75.57,s,
C,30,77.48,s,
O,31,,,
C,32,40.59,s,
C,33,82.75,s,
O,34,,,
C,35,56.14,s,
C,36,39.05,s,
C,37,32.65,s,
C,38,52.87,s,
C,39,69.4,s,
O,40,,,
C,41,76.57,s,
O,42,,,
C,43,57.81,s,
H,44,1.06,t,6.8
H,45,1.06,t,6.8
H,46,1.06,t,6.8
H,47,2.67,q,6.8
H,48,2.67,q,6.8
H,49,3.05,s,
H,50,3.05,s,
H,51,7.93,ddd,"8.5,1.4,0.5"
H,52,7.43,ddd,"8.5,7.0,1.4"
H,53,7.22,ddd,"7.0,6.3,1.4"
H,54,7.15,ddd,"6.3,1.4,0.5"
H,55,10.24,s,
H,56,2.18,s,
H,57,2.18,s,
H,58,2.18,s,
H,59,1.9,ddd,"12.4,11.2,3.2"
H,60,1.9,ddd,"12.4,11.8,6.7"
H,61,1.86,m,
H,62,1.86,m,
H,63,4.77,t,3.3
H,64,3.11,s,
H,65,3.11,s,
H,66,3.11,s,
H,67,2.29,dd,"10.3,2.0"
H,68,1.96,dd,"12.4,10.3"
H,69,1.96,dd,"12.4,2.0"
H,70,,,
H,71,3.41,s,
H,72,,,
H,73,2.27,dd,"12.4,4.2"
H,74,2.27,dd,"12.4,9.5"
H,75,3.32,ddd,"9.5,4.2,2.1"
H,76,3.27,s,
H,77,3.27,s,
H,78,3.27,s,
H,79,2.35,m,
H,80,1.66,ddd,"12.4,7.1,1.3"
H,81,1.66,ddd,"12.4,10.8,8.0"
H,82,2.29,dd,"10.8,7.1"
H,83,,,
H,84,5.19,d,4.7
H,85,3.41,s,
H,86,3.41,s,
H,87,3.41,s,
