C,1,22.42,s,
C,2,24.66,s,
C,3,22.42,s,
C,4,36.24,s,
C,5,57.53,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,15,162.36,s,
O,16,,,
C,17,57.53,s,
C,18,36.24,s,
C,19,24.66,s,
C,20,22.42,s,
C,21,22.42,s,
N,22,,,
C,23,162.36,s,
O,24,,,
C,25,57.53,s,
C,26,36.24,s,
C,27,24.66,s,
C,28,22.42,s,
C,29,22.42,s,
N,30,,,
C,31,31.45,s,
C,32,169.5,s,
O,33,,,
C,34,57.53,s,
C,35,30.56,s,
C,36,18.38,s,
C,37,18.38,s,
N,38,,,
C,39,162.36,s,
O,40,,,
H,41,0.8,d,6.4
H,42,0.8,d,6.4
H,43,0.8,d,6.4
H,44,1.67,m,"6.4,5.9"
H,45,0.8,d,6.4
H,46,0.8,d,6.4
H,47,0.8,d,6.4
H,48,1.87,dd,"6.2,5.9"
H,49,1.87,dd,"6.2,5.9"
H,50,4.28,t,6.2
H,51,,,
H,52,4.28,t,6.2
H,53,1.87,dd,"6.2,5.9"
H,54,1.87,dd,"6.2,5.9"
H,55,1.67,m,"6.4,5.9"
H,56,0.8,d,6.4
H,57,0.8,d,6.4
H,58,0.8,d,6.4
H,59,0.8,d,6.4
H,60,0.8,d,6.4
H,61,0.8,d,6.4
H,62,,,
H,63,4.28,t,6.2
H,64,1.87,dd,"6.2,5.9"
H,65,1.87,dd,"6.2,5.9"
H,66,1.67,m,"6.4,5.9"
H,67,0.8,d,6.4
H,68,0.8,d,6.4
H,69,0.8,d,6.4
H,70,0.8,d,6.4
H,71,0.8,d,6.4
H,72,0.8,d,6.4
H,73,,,
H,74,4.28,t,6.5
H,75,1.87,dd,"6.5,5.9"
H,76,1.87,dd,"6.5,5.9"
H,77,1.67,m,"6.4,5.9"
H,78,0.8,d,6.4
H,79,0.8,d,6.4
H,80,0.8,d,6.4
H,81,0.8,d,6.4
H,82,0.8,d,6.4
H,83,0.8,d,6.4
H,84,2.91,s,
H,85,2.91,s,
H,86,2.91,s,
H,87,5.02,d,5.3
H,88,2.09,m,"6.4,5.3"
H,89,0.88,d,6.4
H,90,0.88,d,6.4
H,91,0.88,d,6.4
H,92,0.88,d,6.4
H,93,0.88,d,6.4
H,94,0.88,d,6.4
H,95,,,
