C,1,21.01,s,
C,2,31.42,s,
C,3,38.7,s,
C,4,71.6,s,
C,5,27.63,s,
C,6,25.99,s,
C,7,30.5,s,
C,8,,,
N,9,,,
C,10,172.36,s,
O,11,,,
C,12,32.79,s,
C,13,18.63,s,
C,14,31.72,s,
C,15,58.68,s,
C,16,30.5,s,
C,17,71.6,s,
C,18,38.7,s,
N,19,,,
O,20,,,
H,21,0.89,d,6.4
H,22,0.89,d,6.4
H,23,0.89,d,6.4
H,24,1.58,m,
H,25,2.05,ddd,"12.4,4.7,4.6"
H,26,2.05,ddd,"12.4,11.3,10.1"
H,27,4.86,m,
H,28,2.02,m,
H,29,2.02,m,
H,30,1.42,m,
H,31,1.42,m,
H,32,2.05,m,
H,33,2.05,m,
H,34,3.4,dd,"12.0,5.1"
H,35,2.6,ddd,"15.4,6.6,0.9"
H,36,2.6,ddd,"15.4,12.3,8.1"
H,37,1.66,m,
H,38,1.66,m,
H,39,1.51,m,
H,40,1.51,m,
H,41,3.77,m,
H,42,2.05,ddd,"12.4,7.2,5.8"
H,43,2.05,ddd,"12.4,10.9,10.1"
H,44,4.86,m,
H,45,2.05,ddd,"12.4,6.0,4.0"
H,46,2.05,ddd,"12.4,12.1,11.5"
