C,1,56.25,s,
O,2,,,
C,3,153.4,s,
C,4,105.6,s,
C,5,129.8,s,
C,6,145.1,s,
C,7,116.48,s,
C,8,167.16,s,
O,9,,,
O,10,,,
C,11,79.1,s,
C,12,75.4,s,
O,13,,,
C,14,66.1,s,
C,15,27.0,s,
C,16,66.91,s,
O,17,,,
C,18,165.68,s,
O,19,,,
C,20,123.54,s,
C,21,106.84,s,
C,22,152.78,s,
O,23,,,
C,24,56.13,s,
C,25,142.38,s,
O,26,,,
C,27,60.79,s,
C,28,152.78,s,
O,29,,,
C,30,56.13,s,
C,31,106.84,s,
C,32,27.2,s,
C,33,62.7,s,
N,34,,,
C,35,35.2,s,
C,36,105.6,s,
C,37,153.4,s,
O,38,,,
C,39,56.25,s,
C,40,140.77,s,
O,41,,,
C,42,60.79,s,
H,43,3.87,s,
H,44,3.87,s,
H,45,3.87,s,
H,46,6.9,s,
H,47,7.59,d,16.0
H,48,6.4,d,16.0
H,49,5.8,dd,"6.3,4.3"
H,50,4.8,dd,"7.9,6.3"
H,51,,,
H,52,3.2,ddd,"8.2,7.9,1.5"
H,53,2.29,ddd,"12.4,8.2,5.1"
H,54,2.29,ddd,"12.4,12.2,1.5"
H,55,5.14,m,
H,56,7.28,s,
H,57,3.87,s,
H,58,3.87,s,
H,59,3.87,s,
H,60,3.85,s,
H,61,3.85,s,
H,62,3.85,s,
H,63,3.87,s,
H,64,3.87,s,
H,65,3.87,s,
H,66,7.28,s,
H,67,2.34,ddd,"12.4,11.3,4.4"
H,68,2.34,ddd,"12.4,9.9,2.8"
H,69,3.43,ddd,"9.9,4.4,4.3"
H,70,2.63,s,
H,71,2.63,s,
H,72,2.63,s,
H,73,6.9,s,
H,74,3.87,s,
H,75,3.87,s,
H,76,3.87,s,
H,77,3.85,s,
H,78,3.85,s,
H,79,3.85,s,
