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,32,121.19,s,
C,33,143.95,s,
O,34,,,
C,35,146.53,s,
O,36,,,
C,37,56.29,s,
C,38,110.7,s,
C,39,127.53,s,
C,40,125.36,s,
C,41,62.33,s,
C,42,34.6,s,
N,43,,,
C,44,43.75,s,
C,45,53.03,s,
C,46,29.13,s,
N,47,,,
C,48,42.33,s,
C,49,47.07,s,
C,50,25.52,s,
H,51,3.8,s,
H,52,3.8,s,
H,53,3.8,s,
H,54,6.61,s,
H,55,6.61,s,
H,56,3.8,s,
H,57,3.8,s,
H,58,3.8,s,
H,59,4.39,t,6.2
H,60,3.01,d,6.2
H,61,3.01,d,6.2
H,62,6.9,d,8.2
H,63,6.6,d,8.2
H,64,3.86,s,
H,65,3.86,s,
H,66,3.86,s,
H,67,3.81,s,
H,68,3.81,s,
H,69,3.81,s,
H,70,6.68,d,0.5
H,71,7.96,d,0.5
H,72,3.8,s,
H,73,3.8,s,
H,74,3.8,s,
H,75,,,
H,76,3.93,s,
H,77,3.93,s,
H,78,3.93,s,
H,79,6.71,s,
H,80,2.97,dd,"11.1,4.1"
H,81,2.76,dd,"15.4,4.1"
H,82,2.76,dd,"15.4,11.1"
H,83,2.55,s,
H,84,2.55,s,
H,85,2.55,s,
H,86,2.78,ddd,"13.0,12.4,1.9"
H,87,2.78,ddd,"12.4,4.1,2.2"
H,88,2.96,ddd,"15.4,4.1,1.9"
H,89,2.96,ddd,"15.4,13.0,2.2"
H,90,2.54,s,
H,91,2.54,s,
H,92,2.54,s,
H,93,2.78,ddd,"12.4,10.0,1.9"
H,94,2.78,ddd,"12.4,10.3,6.9"
H,95,2.85,ddd,"15.4,10.3,1.9"
H,96,2.85,ddd,"15.4,10.0,6.9"
