C,1,55.95,s,
O,2,,,
C,3,147.21,s,
C,4,112.24,s,
C,5,126.03,s,
C,6,129.88,s,
C,7,110.81,s,
C,8,146.69,s,
O,9,,,
C,10,55.78,s,
C,11,64.8,s,
C,12,36.5,s,
C,13,124.41,s,
C,14,129.3,s,
C,15,107.15,s,
C,16,155.87,s,
O,17,,,
C,18,56.98,s,
C,19,139.54,s,
O,20,,,
C,21,60.99,s,
C,22,145.43,s,
O,23,,,
C,24,147.0,s,
C,25,110.47,s,
C,26,129.35,s,
C,27,124.35,s,
C,28,111.2,s,
C,29,148.26,s,
O,30,,,
C,31,56.0,s,
C,32,124.28,s,
C,33,145.31,s,
O,34,,,
C,35,60.33,s,
C,36,137.25,s,
O,37,,,
C,38,60.93,s,
C,39,149.4,s,
O,40,,,
C,41,60.7,s,
C,42,125.03,s,
C,43,127.11,s,
C,44,62.2,s,
C,45,34.6,s,
N,46,,,
C,47,43.72,s,
C,48,50.18,s,
C,49,23.0,s,
N,50,,,
C,51,42.33,s,
C,52,47.07,s,
C,53,25.52,s,
H,54,3.8,s,
H,55,3.8,s,
H,56,3.8,s,
H,57,6.61,s,
H,58,6.61,s,
H,59,3.8,s,
H,60,3.8,s,
H,61,3.8,s,
H,62,4.39,t,6.2
H,63,3.01,d,6.2
H,64,3.01,d,6.2
H,65,6.9,d,8.4
H,66,6.6,d,8.4
H,67,3.86,s,
H,68,3.86,s,
H,69,3.86,s,
H,70,3.81,s,
H,71,3.81,s,
H,72,3.81,s,
H,73,6.68,d,0.5
H,74,7.96,d,0.5
H,75,3.8,s,
H,76,3.8,s,
H,77,3.8,s,
H,78,3.72,s,
H,79,3.72,s,
H,80,3.72,s,
H,81,3.83,s,
H,82,3.83,s,
H,83,3.83,s,
H,84,3.84,s,
H,85,3.84,s,
H,86,3.84,s,
H,87,2.97,dd,"10.4,3.2"
H,88,2.76,dd,"15.4,3.2"
H,89,2.76,dd,"15.4,10.4"
H,90,2.55,s,
H,91,2.55,s,
H,92,2.55,s,
H,93,2.78,ddd,"12.4,11.6,7.3"
H,94,2.78,ddd,"12.4,8.4,0.7"
H,95,2.59,ddd,"15.4,7.3,0.7"
H,96,2.59,ddd,"15.4,11.6,8.4"
H,97,2.54,s,
H,98,2.54,s,
H,99,2.54,s,
H,100,2.78,ddd,"12.4,9.9,1.4"
H,101,2.78,ddd,"12.4,9.3,8.7"
H,102,2.85,ddd,"15.4,9.3,1.4"
H,103,2.85,ddd,"15.4,9.9,8.7"
