C,1,37.88,s,
N,2,,,
C,3,131.53,s,
C,4,137.53,s,
C,5,148.66,s,
C,6,111.07,s,
C,7,126.35,s,
C,8,125.2,s,
C,9,181.4,s,
O,10,,,
C,11,108.76,s,
C,12,166.42,s,
O,13,,,
C,14,99.1,s,
C,15,164.8,s,
C,16,94.9,s,
C,17,147.52,s,
C,18,120.7,s,
C,19,124.2,s,
C,20,75.3,s,
C,21,27.0,s,
C,22,27.0,s,
O,23,,,
O,24,,,
C,25,77.48,s,
C,26,25.81,s,
C,27,135.73,s,
C,28,133.81,s,
C,29,94.9,s,
C,30,158.73,s,
O,31,,,
C,32,104.43,s,
C,33,166.31,s,
O,34,,,
C,35,108.76,s,
C,36,181.4,s,
O,37,,,
C,38,125.2,s,
C,39,120.15,s,
C,40,129.07,s,
C,41,118.5,s,
C,42,147.9,s,
O,43,,,
C,44,131.53,s,
N,45,,,
C,46,37.88,s,
C,47,138.76,s,
C,48,71.31,s,
O,49,,,
H,50,3.01,s,
H,51,3.01,s,
H,52,3.01,s,
H,53,6.84,d,5.7
H,54,8.01,d,5.7
H,55,,,
H,56,6.12,s,
H,57,7.31,s,
H,58,5.69,s,
H,59,1.45,s,
H,60,1.45,s,
H,61,1.45,s,
H,62,1.45,s,
H,63,1.45,s,
H,64,1.45,s,
H,65,1.4,s,
H,66,1.4,s,
H,67,1.4,s,
H,68,5.99,d,11.0
H,69,7.31,d,11.0
H,70,,,
H,71,6.29,s,
H,72,,,
H,73,7.71,dd,"7.4,1.4"
H,74,7.3,dd,"7.4,7.2"
H,75,6.95,dd,"7.2,1.4"
H,76,,,
H,77,3.01,s,
H,78,3.01,s,
H,79,3.01,s,
H,80,4.31,s,
H,81,4.31,s,
