C,1,55.5,s,
O,2,,,
C,3,95.63,s,
O,4,,,
C,5,80.64,s,
C,6,142.71,s,
C,7,106.81,s,
C,8,147.55,s,
C,9,147.78,s,
C,10,110.47,s,
C,11,127.8,s,
C,12,32.98,s,
C,13,56.65,s,
N,14,,,
C,15,42.3,s,
C,16,66.45,s,
C,17,131.87,s,
C,18,127.65,s,
C,19,111.07,s,
C,20,147.38,s,
C,21,145.43,s,
C,22,126.68,s,
O,23,,,
C,24,101.57,s,
O,25,,,
O,26,,,
C,27,101.35,s,
O,28,,,
H,29,3.35,s,
H,30,3.35,s,
H,31,3.35,s,
H,32,5.61,s,
H,33,5.11,d,8.2
H,34,6.6,d,0.5
H,35,6.68,d,0.5
H,36,2.91,ddd,"13.4,13.1,3.3"
H,37,2.91,ddd,"13.4,3.1,3.0"
H,38,3.34,ddd,"12.4,3.3,3.1"
H,39,3.34,ddd,"13.1,12.4,3.0"
H,40,2.35,s,
H,41,2.35,s,
H,42,2.35,s,
H,43,4.28,d,8.2
H,44,7.32,d,7.4
H,45,6.84,d,7.4
H,46,5.88,s,
H,47,5.88,s,
H,48,5.88,s,
H,49,5.88,s,
