C,1,55.95,s,
O,2,,,
C,3,149.0,s,
C,4,112.3,s,
C,5,134.2,s,
C,6,130.9,s,
C,7,112.6,s,
C,8,146.9,s,
O,9,,,
C,10,55.97,s,
C,11,193.0,s,
O,12,,,
C,13,45.7,s,
C,14,138.21,s,
C,15,110.47,s,
C,16,147.78,s,
C,17,147.39,s,
C,18,106.84,s,
C,19,132.31,s,
C,20,55.17,s,
N,21,,,
C,22,41.55,s,
C,23,57.1,s,
C,24,31.9,s,
O,25,,,
C,26,101.8,s,
O,27,,,
H,28,3.8,s,
H,29,3.8,s,
H,30,3.8,s,
H,31,6.68,d,0.5
H,32,7.09,d,0.5
H,33,3.8,s,
H,34,3.8,s,
H,35,3.8,s,
H,36,4.14,s,
H,37,4.14,s,
H,38,6.68,d,0.5
H,39,6.59,d,0.5
H,40,3.89,s,
H,41,3.89,s,
H,42,2.4,s,
H,43,2.4,s,
H,44,2.4,s,
H,45,3.34,ddd,"12.4,4.8,4.5"
H,46,3.34,ddd,"12.4,11.5,1.6"
H,47,2.91,ddd,"15.4,11.5,4.8"
H,48,2.91,ddd,"15.4,4.5,1.6"
H,49,5.96,s,
H,50,5.96,s,
