C,1,55.99,s,
O,2,,,
C,3,145.52,s,
C,4,110.6,s,
C,5,124.7,s,
C,6,128.85,s,
C,7,113.4,s,
C,8,143.4,s,
O,9,,,
C,10,64.0,s,
C,11,39.73,s,
C,12,134.0,s,
C,13,130.5,s,
C,14,122.0,s,
C,15,153.95,s,
O,16,,,
C,17,145.4,s,
C,18,132.4,s,
C,19,127.97,s,
C,20,40.4,s,
C,21,65.5,s,
C,22,130.6,s,
C,23,110.65,s,
C,24,146.69,s,
O,25,,,
C,26,55.78,s,
C,27,147.21,s,
O,28,,,
C,29,55.95,s,
C,30,112.24,s,
C,31,125.8,s,
C,32,25.52,s,
C,33,46.63,s,
N,34,,,
C,35,42.27,s,
C,36,115.8,s,
C,37,110.2,s,
C,38,147.49,s,
O,39,,,
C,40,122.0,s,
C,41,130.5,s,
N,42,,,
C,43,42.39,s,
C,44,47.8,s,
C,45,24.4,s,
H,46,3.86,s,
H,47,3.86,s,
H,48,3.86,s,
H,49,6.65,d,0.5
H,50,6.69,d,0.5
H,51,,,
H,52,4.39,t,6.2
H,53,3.66,d,6.2
H,54,3.66,d,6.2
H,55,7.22,ddd,"6.5,1.9,0.5"
H,56,7.09,ddd,"6.5,1.9,0.5"
H,57,4.74,dd,"1.9,0.5"
H,58,3.01,d,6.2
H,59,3.01,d,6.2
H,60,4.39,t,6.2
H,61,6.61,s,
H,62,3.8,s,
H,63,3.8,s,
H,64,3.8,s,
H,65,3.8,s,
H,66,3.8,s,
H,67,3.8,s,
H,68,6.61,s,
H,69,2.85,ddd,"15.4,3.5,2.5"
H,70,2.85,ddd,"15.4,13.3,3.0"
H,71,2.78,ddd,"13.3,12.4,2.5"
H,72,2.78,ddd,"12.4,3.5,3.0"
H,73,2.54,s,
H,74,2.54,s,
H,75,2.54,s,
H,76,6.52,dd,"7.3,1.9"
H,77,6.78,dd,"7.3,0.5"
H,78,,,
H,79,7.09,ddd,"8.8,1.9,0.5"
H,80,7.22,ddd,"8.8,1.9,0.5"
H,81,2.54,s,
H,82,2.54,s,
H,83,2.54,s,
H,84,2.78,ddd,"13.0,12.4,4.9"
H,85,2.78,ddd,"12.4,5.1,2.8"
H,86,2.85,ddd,"15.4,13.0,5.1"
H,87,2.85,ddd,"15.4,4.9,2.8"
