C,1,56.1,s,
O,2,,,
C,3,154.7,s,
C,4,111.4,s,
C,5,126.82,s,
C,6,139.8,s,
C,7,131.33,s,
C,8,127.5,s,
C,9,126.71,s,
C,10,131.33,s,
C,11,139.8,s,
C,12,126.82,s,
C,13,116.48,s,
C,14,151.86,s,
O,15,,,
C,16,40.92,s,
C,17,65.13,s,
C,18,129.88,s,
C,19,111.9,s,
C,20,147.0,s,
C,21,146.79,s,
C,22,110.47,s,
C,23,126.18,s,
C,24,25.2,s,
C,25,46.63,s,
N,26,,,
C,27,42.27,s,
O,28,,,
C,29,98.83,s,
O,30,,,
C,31,137.25,s,
C,32,151.83,s,
O,33,,,
C,34,56.31,s,
C,35,110.47,s,
C,36,124.1,s,
C,37,129.11,s,
C,38,145.43,s,
O,39,,,
C,40,59.05,s,
C,41,40.92,s,
N,42,,,
C,43,42.23,s,
C,44,43.84,s,
C,45,23.3,s,
H,46,3.7,s,
H,47,3.7,s,
H,48,3.7,s,
H,49,7.0,dd,"7.1,0.5"
H,50,6.92,dd,"7.1,1.9"
H,51,7.61,dt,"1.9,0.5"
H,52,7.61,dt,"1.9,0.5"
H,53,6.92,dd,"6.6,1.9"
H,54,6.72,dd,"6.6,0.5"
H,55,,,
H,56,3.01,dd,"15.4,2.9"
H,57,3.01,dd,"15.4,11.0"
H,58,4.39,dd,"11.0,2.9"
H,59,6.64,d,0.5
H,60,6.68,d,0.5
H,61,2.85,ddd,"15.4,4.1,2.4"
H,62,2.85,ddd,"15.4,12.7,2.5"
H,63,2.78,ddd,"12.7,12.4,2.4"
H,64,2.78,ddd,"12.4,4.1,2.5"
H,65,2.54,s,
H,66,2.54,s,
H,67,2.54,s,
H,68,5.5,s,
H,69,5.5,s,
H,70,3.87,s,
H,71,3.87,s,
H,72,3.87,s,
H,73,6.46,s,
H,74,4.39,dd,"4.7,3.3"
H,75,3.01,dd,"15.4,3.3"
H,76,3.01,dd,"15.4,4.7"
H,77,2.53,s,
H,78,2.53,s,
H,79,2.53,s,
H,80,2.78,ddd,"12.4,10.5,5.7"
H,81,2.78,ddd,"12.4,10.3,2.2"
H,82,2.85,ddd,"15.4,10.3,5.7"
H,83,2.85,ddd,"15.4,10.5,2.2"
