C,1,56.99,s,
O,2,,,
C,3,144.8,s,
C,4,113.6,s,
C,5,123.9,s,
C,6,35.29,s,
C,7,58.42,s,
N,8,,,
C,9,40.72,s,
C,10,24.9,s,
C,11,127.4,s,
C,12,111.8,s,
C,13,147.6,s,
O,14,,,
C,15,55.95,s,
C,16,146.9,s,
O,17,,,
C,18,55.78,s,
C,19,111.2,s,
C,20,130.4,s,
C,21,148.4,s,
O,22,,,
C,23,147.0,s,
C,24,110.47,s,
C,25,129.35,s,
C,26,124.35,s,
C,27,111.2,s,
C,28,148.26,s,
O,29,,,
C,30,56.0,s,
C,31,126.4,s,
C,32,144.0,s,
O,33,,,
C,34,59.75,s,
C,35,151.4,s,
O,36,,,
C,37,55.67,s,
C,38,110.6,s,
C,39,127.0,s,
C,40,126.2,s,
C,41,62.1,s,
C,42,34.6,s,
N,43,,,
C,44,43.75,s,
C,45,53.03,s,
C,46,28.95,s,
C,47,105.1,s,
C,48,147.3,s,
O,49,,,
C,50,56.2,s,
H,51,3.8,s,
H,52,3.8,s,
H,53,3.8,s,
H,54,6.68,d,0.5
H,55,3.01,d,6.2
H,56,3.01,d,6.2
H,57,4.13,t,6.2
H,58,,,
H,59,3.08,ddd,"12.4,10.2,1.3"
H,60,3.08,ddd,"12.4,10.4,8.9"
H,61,2.78,ddd,"15.4,10.4,1.3"
H,62,2.78,ddd,"15.4,10.2,8.9"
H,63,6.55,d,0.5
H,64,3.8,s,
H,65,3.8,s,
H,66,3.8,s,
H,67,3.8,s,
H,68,3.8,s,
H,69,3.8,s,
H,70,6.64,d,0.5
H,71,6.68,d,0.5
H,72,7.96,d,0.5
H,73,3.8,s,
H,74,3.8,s,
H,75,3.8,s,
H,76,3.78,s,
H,77,3.78,s,
H,78,3.78,s,
H,79,3.81,s,
H,80,3.81,s,
H,81,3.81,s,
H,82,6.73,s,
H,83,2.97,dd,"11.5,7.7"
H,84,2.76,dd,"15.4,7.7"
H,85,2.76,dd,"15.4,11.5"
H,86,2.55,s,
H,87,2.55,s,
H,88,2.55,s,
H,89,2.78,ddd,"12.4,11.2,6.8"
H,90,2.78,ddd,"12.4,6.7,1.8"
H,91,2.96,ddd,"15.4,11.2,6.7"
H,92,2.96,ddd,"15.4,6.8,1.8"
H,93,6.73,d,0.5
H,94,3.84,s,
H,95,3.84,s,
H,96,3.84,s,
