C,1,56.98,s,
O,2,,,
C,3,155.87,s,
C,4,107.15,s,
C,5,129.3,s,
C,6,124.41,s,
C,7,145.43,s,
C,8,139.54,s,
O,9,,,
C,10,60.99,s,
O,11,,,
C,12,144.8,s,
C,13,148.9,s,
O,14,,,
C,15,55.0,s,
C,16,113.9,s,
C,17,121.64,s,
C,18,142.71,s,
C,19,125.15,s,
C,20,59.05,s,
C,21,36.5,s,
N,22,,,
C,23,42.3,s,
C,24,55.9,s,
C,25,67.3,s,
O,26,,,
H,27,3.86,s,
H,28,3.86,s,
H,29,3.86,s,
H,30,6.6,d,6.7
H,31,6.9,d,6.7
H,32,3.81,s,
H,33,3.81,s,
H,34,3.81,s,
H,35,3.87,s,
H,36,3.87,s,
H,37,3.87,s,
H,38,7.14,d,6.7
H,39,7.22,d,6.7
H,40,4.39,dd,"12.5,1.9"
H,41,3.01,dd,"13.4,12.5"
H,42,3.01,dd,"13.4,1.9"
H,43,2.35,s,
H,44,2.35,s,
H,45,2.35,s,
H,46,3.69,dd,"12.4,3.1"
H,47,3.69,dd,"12.4,1.1"
H,48,4.97,dd,"3.1,1.1"
H,49,,,
