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,8,166.82,s,
O,9,,,
C,10,115.59,s,
C,11,130.89,s,
C,12,120.26,s,
C,13,134.2,s,
C,14,119.9,s,
C,15,141.3,s,
N,16,,,
C,17,168.0,s,
C,18,25.1,s,
O,19,,,
C,20,27.85,s,
C,21,24.85,s,
C,22,78.41,s,
O,23,,,
C,24,57.07,s,
C,25,49.44,s,
C,26,39.0,s,
C,27,28.4,s,
C,28,42.97,s,
C,29,82.75,s,
O,30,,,
C,31,56.14,s,
C,32,40.59,s,
C,33,76.45,s,
O,34,,,
C,35,48.16,s,
C,36,75.5,s,
O,37,,,
C,38,85.2,s,
O,39,,,
C,40,63.5,s,
C,41,76.57,s,
O,42,,,
C,43,57.81,s,
C,44,51.51,s,
H,45,1.07,t,6.8
H,46,1.07,t,6.8
H,47,1.07,t,6.8
H,48,3.01,q,6.8
H,49,3.01,q,6.8
H,50,2.65,s,
H,51,2.65,s,
H,52,4.07,s,
H,53,4.07,s,
H,54,7.93,ddd,"6.3,1.4,0.5"
H,55,7.43,ddd,"7.5,6.3,1.4"
H,56,7.22,ddd,"9.7,7.5,1.4"
H,57,7.15,ddd,"9.7,1.4,0.5"
H,58,10.24,s,
H,59,2.18,s,
H,60,2.18,s,
H,61,2.18,s,
H,62,2.17,ddd,"12.4,4.1,1.8"
H,63,2.17,ddd,"12.8,12.4,4.4"
H,64,1.79,m,
H,65,1.79,m,
H,66,3.43,dd,"9.1,8.1"
H,67,3.09,s,
H,68,3.09,s,
H,69,3.09,s,
H,70,2.29,ddd,"10.1,8.2,6.1"
H,71,1.86,ddd,"12.4,8.2,0.5"
H,72,1.86,ddd,"12.4,10.1,9.5"
H,73,2.41,m,
H,74,3.32,ddd,"10.1,6.3,2.0"
H,75,3.27,s,
H,76,3.27,s,
H,77,3.27,s,
H,78,2.69,dd,"12.4,10.1"
H,79,2.69,dd,"12.4,2.0"
H,80,,,
H,81,2.52,dd,"6.1,5.6"
H,82,4.38,dd,"5.6,4.4"
H,83,,,
H,84,,,
H,85,3.02,s,
H,86,3.92,d,8.6
H,87,3.41,s,
H,88,3.41,s,
H,89,3.41,s,
H,90,1.77,d,8.6
