C,1,56.34,s,
O,2,,,
C,3,148.41,s,
C,4,106.5,s,
C,5,129.3,s,
C,6,124.41,s,
C,7,145.43,s,
C,8,136.32,s,
O,9,,,
O,10,,,
C,11,144.8,s,
C,12,148.9,s,
O,13,,,
C,14,55.0,s,
C,15,113.9,s,
C,16,121.64,s,
C,17,142.71,s,
C,18,125.15,s,
C,19,59.05,s,
C,20,36.5,s,
N,21,,,
C,22,42.3,s,
C,23,55.9,s,
C,24,67.3,s,
O,25,,,
H,26,3.82,s,
H,27,3.82,s,
H,28,3.82,s,
H,29,6.84,d,9.1
H,30,6.9,d,9.1
H,31,,,
H,32,3.87,s,
H,33,3.87,s,
H,34,3.87,s,
H,35,7.14,d,8.5
H,36,7.22,d,8.5
H,37,4.39,dd,"12.7,3.1"
H,38,3.01,dd,"13.4,3.1"
H,39,3.01,dd,"13.4,12.7"
H,40,2.35,s,
H,41,2.35,s,
H,42,2.35,s,
H,43,3.69,dd,"12.4,1.6"
H,44,3.69,dd,"12.4,5.3"
H,45,4.97,dd,"5.3,1.6"
H,46,,,
