C,1,55.95,s,
O,2,,,
C,3,148.37,s,
C,4,110.47,s,
C,5,128.38,s,
C,6,138.43,s,
C,7,110.12,s,
C,8,147.8,s,
O,9,,,
C,10,56.37,s,
C,11,61.74,s,
C,12,,,
O,13,,,
C,14,133.83,s,
C,15,127.28,s,
C,16,107.7,s,
C,17,147.38,s,
C,18,145.43,s,
C,19,126.72,s,
C,20,70.1,s,
O,21,,,
O,22,,,
C,23,101.57,s,
O,24,,,
N,25,,,
C,26,40.95,s,
C,27,48.1,s,
C,28,29.1,s,
H,29,3.8,s,
H,30,3.8,s,
H,31,3.8,s,
H,32,6.51,d,0.5
H,33,6.47,d,0.5
H,34,3.8,s,
H,35,3.8,s,
H,36,3.8,s,
H,37,7.25,d,6.7
H,38,6.7,d,6.7
H,39,5.62,s,
H,40,,,
H,41,5.88,s,
H,42,5.88,s,
H,43,2.67,s,
H,44,2.67,s,
H,45,2.67,s,
H,46,3.34,ddd,"12.4,7.3,2.2"
H,47,3.34,ddd,"12.4,12.0,6.2"
H,48,2.85,ddd,"15.4,12.0,7.3"
H,49,2.85,ddd,"15.4,6.2,2.2"
