C,1,56.31,s,
O,2,,,
C,3,151.83,s,
C,4,110.33,s,
C,5,131.87,s,
C,6,125.03,s,
C,7,147.5,s,
O,8,,,
C,9,135.77,s,
O,10,,,
C,11,60.52,s,
C,12,23.0,s,
C,13,51.92,s,
N,14,,,
C,15,53.8,s,
C,16,127.6,s,
C,17,128.5,s,
C,18,125.66,s,
C,19,118.5,s,
C,20,144.25,s,
O,21,,,
C,22,145.43,s,
O,23,,,
C,24,60.98,s,
C,25,36.2,s,
C,26,59.08,s,
H,27,3.87,s,
H,28,3.87,s,
H,29,3.87,s,
H,30,6.64,s,
H,31,,,
H,32,3.88,s,
H,33,3.88,s,
H,34,3.88,s,
H,35,2.59,ddd,"15.4,13.3,5.4"
H,36,2.59,ddd,"15.4,3.2,2.6"
H,37,3.04,ddd,"12.4,5.4,2.6"
H,38,3.04,ddd,"13.3,12.4,3.2"
H,39,4.25,s,
H,40,4.25,s,
H,41,6.87,d,7.8
H,42,6.8,d,7.8
H,43,,,
H,44,3.84,s,
H,45,3.84,s,
H,46,3.84,s,
H,47,2.9,dd,"15.4,12.6"
H,48,2.9,dd,"15.4,4.2"
H,49,2.2,dd,"12.6,4.2"
