C,1,53.13,s,
O,2,,,
C,3,163.5,s,
C,4,107.82,s,
C,5,138.77,s,
C,6,114.07,s,
C,7,160.6,s,
C,8,43.5,s,
C,9,33.7,s,
C,10,43.6,s,
C,11,64.4,s,
O,12,,,
C,13,62.5,s,
C,14,28.2,s,
C,15,33.8,s,
C,16,67.3,s,
O,17,,,
C,18,63.6,s,
N,19,,,
C,20,61.3,s,
N,21,,,
H,22,3.96,s,
H,23,3.96,s,
H,24,3.96,s,
H,25,6.85,dd,"7.4,1.4"
H,26,7.68,dd,"7.4,6.8"
H,27,7.25,dd,"6.8,1.4"
H,28,2.83,m,
H,29,1.66,ddd,"12.4,7.7,7.3"
H,30,1.66,ddd,"12.7,12.4,10.3"
H,31,2.4,m,
H,32,3.71,d,5.8
H,33,3.71,d,5.8
H,34,,,
H,35,3.6,ddd,"7.1,6.9,1.4"
H,36,1.84,m,
H,37,1.84,m,
H,38,1.8,m,
H,39,1.8,m,
H,40,3.73,m,
H,41,,,
H,42,3.69,dd,"12.4,1.5"
H,43,3.69,dd,"12.4,7.5"
H,44,3.31,dd,"12.4,4.8"
H,45,3.31,dd,"12.4,11.9"
