C,1,20.02,s,
C,2,29.87,s,
C,3,20.02,s,
C,4,44.46,s,
C,5,42.11,s,
C,6,41.86,s,
C,7,23.79,s,
C,8,57.53,s,
N,9,,,
C,10,164.55,s,
O,11,,,
C,12,41.86,s,
C,13,23.79,s,
C,14,35.28,s,
C,15,28.16,s,
C,16,50.54,s,
C,17,37.64,s,
C,18,42.11,s,
H,19,0.91,d,6.4
H,20,0.91,d,6.4
H,21,0.91,d,6.4
H,22,1.69,m,"6.4,5.4"
H,23,0.91,d,6.4
H,24,0.91,d,6.4
H,25,0.91,d,6.4
H,26,1.88,m,
H,27,2.04,t,12.4
H,28,2.04,dd,"12.4,6.9"
H,29,1.13,s,
H,30,1.13,s,
H,31,1.13,s,
H,32,4.28,s,
H,33,6.53,s,
H,34,,,
H,35,1.13,s,
H,36,1.13,s,
H,37,1.13,s,
H,38,1.72,ddd,"12.4,11.8,3.2"
H,39,1.72,ddd,"12.4,11.7,6.5"
H,40,1.58,m,
H,41,1.58,m,
H,42,1.61,ddd,"4.2,3.9,2.1"
H,43,1.55,m,
H,44,2.04,dd,"12.4,3.3"
H,45,2.04,dd,"12.4,10.3"
