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,10,113.97,s,
C,11,130.62,s,
C,12,120.85,s,
C,13,132.76,s,
C,14,124.0,s,
C,15,145.91,s,
N,16,,,
C,17,162.36,s,
O,18,,,
C,19,40.4,s,
C,20,18.87,s,
C,21,37.39,s,
C,22,172.91,s,
O,23,,,
O,24,,,
C,25,51.81,s,
C,26,27.85,s,
C,27,24.85,s,
C,28,78.41,s,
O,29,,,
C,30,57.07,s,
C,31,49.44,s,
C,32,63.5,s,
C,33,85.2,s,
O,34,,,
C,35,76.57,s,
O,36,,,
C,37,57.81,s,
C,38,51.51,s,
C,39,76.45,s,
O,40,,,
C,41,35.1,s,
C,42,28.16,s,
C,43,38.43,s,
C,44,32.65,s,
C,45,39.0,s,
C,46,48.16,s,
C,47,81.34,s,
O,48,,,
C,49,57.68,s,
H,50,1.07,t,6.8
H,51,1.07,t,6.8
H,52,1.07,t,6.8
H,53,3.01,q,6.8
H,54,3.01,q,6.8
H,55,2.65,s,
H,56,2.65,s,
H,57,4.07,s,
H,58,4.07,s,
H,59,7.87,ddd,"7.1,1.4,0.5"
H,60,7.11,ddd,"7.7,7.1,1.4"
H,61,7.51,ddd,"8.6,7.7,1.4"
H,62,7.48,ddd,"8.6,1.4,0.5"
H,63,,,
H,64,2.43,qt,"6.7,6.4"
H,65,1.13,d,6.7
H,66,1.13,d,6.7
H,67,1.13,d,6.7
H,68,2.6,d,6.4
H,69,2.6,d,6.4
H,70,3.61,s,
H,71,3.61,s,
H,72,3.61,s,
H,73,2.17,ddd,"12.4,12.0,6.6"
H,74,2.17,ddd,"12.4,11.7,1.2"
H,75,1.79,m,
H,76,1.79,m,
H,77,3.43,dd,"6.3,1.6"
H,78,3.09,s,
H,79,3.09,s,
H,80,3.09,s,
H,81,3.01,s,
H,82,,,
H,83,3.93,d,1.6
H,84,3.41,s,
H,85,3.41,s,
H,86,3.41,s,
H,87,1.77,d,1.6
H,88,,,
H,89,1.9,ddd,"12.4,11.8,5.2"
H,90,1.9,ddd,"12.4,11.3,1.9"
H,91,1.58,m,
H,92,1.58,m,
H,93,2.64,m,
H,94,1.66,ddd,"12.4,6.9,1.3"
H,95,1.66,ddd,"12.4,10.6,9.6"
H,96,2.29,ddd,"10.6,7.4,6.9"
H,97,3.07,dd,"7.4,6.7"
H,98,4.6,dd,"6.7,5.7"
H,99,3.31,s,
H,100,3.31,s,
H,101,3.31,s,
