C,1,29.84,s,
C,2,,,
O,3,,,
C,4,43.78,s,
C,5,23.77,s,
C,6,27.48,s,
C,7,26.9,s,
C,8,29.62,s,
C,9,29.07,s,
C,10,29.11,s,
C,11,28.76,s,
C,12,28.0,s,
C,13,31.7,s,
C,14,143.45,s,
N,15,,,
C,16,157.77,s,
C,17,24.35,s,
C,18,126.13,s,
C,19,114.66,s,
C,20,149.45,s,
O,21,,,
H,22,2.13,s,
H,23,2.13,s,
H,24,2.13,s,
H,25,2.38,t,6.7
H,26,2.38,t,6.7
H,27,1.57,tt,"6.7,6.6"
H,28,1.57,tt,"6.7,6.6"
H,29,1.34,m,6.6
H,30,1.34,m,6.6
H,31,1.32,m,6.6
H,32,1.32,m,6.6
H,33,1.23,m,6.6
H,34,1.23,m,6.6
H,35,1.23,m,6.6
H,36,1.23,m,6.6
H,37,1.28,m,6.6
H,38,1.28,m,6.6
H,39,1.35,m,6.6
H,40,1.35,m,6.6
H,41,1.66,tt,"6.7,6.6"
H,42,1.66,tt,"6.7,6.6"
H,43,2.72,t,6.7
H,44,2.72,t,6.7
H,45,2.67,s,
H,46,2.67,s,
H,47,2.67,s,
H,48,7.22,d,7.7
H,49,6.91,d,7.7
H,50,,,
