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,19,110.33,s,
C,20,148.66,s,
C,21,148.66,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,29,137.25,s,
C,30,151.83,s,
O,31,,,
C,32,56.31,s,
C,33,110.47,s,
C,34,124.1,s,
C,35,129.11,s,
C,36,145.43,s,
O,37,,,
C,38,59.05,s,
C,39,40.92,s,
N,40,,,
C,41,42.23,s,
C,42,43.84,s,
C,43,23.3,s,
H,44,3.7,s,
H,45,3.7,s,
H,46,3.7,s,
H,47,7.0,dd,"7.2,0.5"
H,48,6.92,dd,"7.2,1.9"
H,49,7.61,dt,"1.9,0.5"
H,50,7.61,dt,"1.9,0.5"
H,51,6.92,dd,"7.3,1.9"
H,52,6.72,dd,"7.3,0.5"
H,53,,,
H,54,3.01,dd,"15.4,2.8"
H,55,3.01,dd,"15.4,7.8"
H,56,4.39,dd,"7.8,2.8"
H,57,6.64,d,0.5
H,58,6.68,d,0.5
H,59,2.85,ddd,"15.4,4.5,2.3"
H,60,2.85,ddd,"15.4,13.4,3.5"
H,61,2.78,ddd,"12.4,3.5,2.3"
H,62,2.78,ddd,"13.4,12.4,4.5"
H,63,2.54,s,
H,64,2.54,s,
H,65,2.54,s,
H,66,3.87,s,
H,67,3.87,s,
H,68,3.87,s,
H,69,6.46,s,
H,70,4.39,dd,"13.3,2.5"
H,71,3.01,dd,"15.4,13.3"
H,72,3.01,dd,"15.4,2.5"
H,73,2.53,s,
H,74,2.53,s,
H,75,2.53,s,
H,76,2.78,ddd,"12.4,9.2,1.7"
H,77,2.78,ddd,"12.4,9.3,8.2"
H,78,2.85,ddd,"15.4,9.3,1.7"
H,79,2.85,ddd,"15.4,9.2,8.2"
