C,1,22.17,s,
C,2,25.75,s,
C,3,22.17,s,
C,4,125.53,s,
C,5,145.66,s,
N,6,,,
C,7,162.36,s,
O,8,,,
C,9,57.53,s,
C,10,36.24,s,
C,11,24.66,s,
C,12,22.42,s,
C,13,22.42,s,
N,14,,,
C,15,155.04,s,
N,16,,,
C,17,167.15,s,
C,18,132.07,s,
C,19,164.56,s,
O,20,,,
C,21,132.53,s,
C,22,132.45,s,
C,23,101.7,s,
C,24,150.18,s,
O,25,,,
H,26,1.0,d,6.7
H,27,1.0,d,6.7
H,28,1.0,d,6.7
H,29,2.53,m,"7.0,6.7"
H,30,1.0,d,6.7
H,31,1.0,d,6.7
H,32,1.0,d,6.7
H,33,5.9,d,7.0
H,34,,,
H,35,4.28,t,6.5
H,36,1.87,dd,"6.5,5.9"
H,37,1.87,dd,"6.5,5.9"
H,38,1.67,m,"6.4,5.9"
H,39,0.8,d,6.4
H,40,0.8,d,6.4
H,41,0.8,d,6.4
H,42,0.8,d,6.4
H,43,0.8,d,6.4
H,44,0.8,d,6.4
H,45,6.9,d,12.0
H,46,6.87,dd,"12.0,7.5"
H,47,6.44,dd,"9.0,7.5"
H,48,6.46,d,9.0
