C,1,55.99,s,
O,2,,,
C,3,148.7,s,
C,4,103.05,s,
C,5,125.5,s,
C,6,121.3,s,
C,7,127.2,s,
C,8,130.55,s,
C,9,125.5,s,
C,10,114.66,s,
C,11,146.67,s,
O,12,,,
C,13,145.19,s,
O,14,,,
C,15,61.35,s,
C,16,123.18,s,
C,17,129.46,s,
C,18,103.94,s,
C,19,148.89,s,
O,20,,,
C,21,56.22,s,
C,22,74.02,s,
O,23,,,
C,24,64.3,s,
C,25,26.66,s,
C,26,21.1,s,
C,27,55.33,s,
N,28,,,
C,29,55.1,s,
H,30,3.94,s,
H,31,3.94,s,
H,32,3.94,s,
H,33,7.29,d,0.5
H,34,7.91,d,9.0
H,35,6.91,d,9.0
H,36,,,
H,37,3.96,s,
H,38,3.96,s,
H,39,3.96,s,
H,40,7.8,d,0.5
H,41,3.94,s,
H,42,3.94,s,
H,43,3.94,s,
H,44,5.24,d,2.5
H,45,,,
H,46,4.28,ddd,"11.5,5.3,2.5"
H,47,1.84,m,
H,48,1.84,m,
H,49,1.9,m,
H,50,1.9,m,
H,51,2.92,ddd,"10.8,9.4,3.4"
H,52,2.92,ddd,"11.0,9.4,7.2"
H,53,4.25,s,
H,54,4.25,s,
