C,1,55.45,s,
O,2,,,
C,3,146.35,s,
C,4,110.47,s,
C,5,133.4,s,
C,6,123.2,s,
C,7,106.86,s,
C,8,147.0,s,
O,9,,,
C,10,145.43,s,
C,11,139.54,s,
O,12,,,
C,13,60.99,s,
C,14,153.49,s,
O,15,,,
C,16,56.23,s,
C,17,110.47,s,
C,18,124.1,s,
C,19,129.11,s,
C,20,58.5,s,
C,21,39.3,s,
C,22,132.34,s,
C,23,124.1,s,
C,24,122.0,s,
C,25,153.95,s,
O,26,,,
C,27,146.21,s,
C,28,110.27,s,
C,29,130.07,s,
C,30,190.92,s,
O,31,,,
C,32,127.7,s,
C,33,115.59,s,
C,34,147.31,s,
O,35,,,
C,36,122.0,s,
C,37,124.1,s,
N,38,,,
C,39,41.9,s,
C,40,43.1,s,
C,41,23.3,s,
C,42,164.7,s,
O,43,,,
N,44,,,
C,45,34.8,s,
C,46,47.8,s,
C,47,27.6,s,
H,48,3.8,s,
H,49,3.8,s,
H,50,3.8,s,
H,51,6.68,d,0.5
H,52,7.87,d,0.5
H,53,3.81,s,
H,54,3.81,s,
H,55,3.81,s,
H,56,3.87,s,
H,57,3.87,s,
H,58,3.87,s,
H,59,6.46,s,
H,60,4.39,t,6.2
H,61,4.97,d,6.2
H,62,4.97,d,6.2
H,63,7.22,ddd,"6.7,1.9,0.5"
H,64,7.09,ddd,"6.7,1.9,0.5"
H,65,7.41,dd,"1.9,0.5"
H,66,9.76,s,
H,67,7.41,dd,"7.9,1.9"
H,68,6.8,dd,"7.9,0.5"
H,69,,,
H,70,7.09,ddd,"9.0,1.9,0.5"
H,71,7.22,ddd,"9.0,1.9,0.5"
H,72,2.53,s,
H,73,2.53,s,
H,74,2.53,s,
H,75,2.78,ddd,"12.4,9.9,1.5"
H,76,2.78,ddd,"12.4,9.5,8.7"
H,77,2.85,ddd,"15.4,9.5,1.5"
H,78,2.85,ddd,"15.4,9.9,8.7"
H,79,2.86,s,
H,80,2.86,s,
H,81,2.86,s,
H,82,3.34,ddd,"13.9,12.4,5.8"
H,83,3.34,ddd,"12.4,6.3,1.8"
H,84,2.85,ddd,"15.4,5.8,1.8"
H,85,2.85,ddd,"15.4,13.9,6.3"
