C,1,61.7,s,
O,2,,,
C,3,143.1,s,
C,4,147.0,s,
O,5,,,
C,6,115.43,s,
C,7,124.0,s,
C,8,132.31,s,
C,9,125.03,s,
C,10,45.27,s,
C,11,193.0,s,
O,12,,,
C,13,130.9,s,
C,14,109.55,s,
C,15,150.0,s,
C,16,147.78,s,
C,17,110.47,s,
C,18,134.2,s,
C,19,31.9,s,
C,20,57.1,s,
N,21,,,
C,22,41.55,s,
C,23,55.17,s,
O,24,,,
C,25,101.24,s,
O,26,,,
H,27,3.84,s,
H,28,3.84,s,
H,29,3.84,s,
H,30,,,
H,31,6.82,d,7.7
H,32,6.61,d,7.7
H,33,4.14,s,
H,34,4.14,s,
H,35,7.09,d,0.5
H,36,6.68,d,0.5
H,37,2.91,ddd,"15.4,3.3,2.2"
H,38,2.91,ddd,"15.4,11.5,4.9"
H,39,3.34,ddd,"12.4,11.5,2.2"
H,40,3.34,ddd,"12.4,4.9,3.3"
H,41,2.4,s,
H,42,2.4,s,
H,43,2.4,s,
H,44,3.89,s,
H,45,3.89,s,
H,46,6.12,s,
H,47,6.12,s,
