C,1,55.32,s,
O,2,,,
C,3,164.2,s,
C,4,114.0,s,
C,5,130.6,s,
C,6,133.75,s,
C,7,196.41,s,
O,8,,,
C,9,70.8,s,
C,10,36.3,s,
C,11,109.36,s,
C,12,149.17,s,
O,13,,,
C,14,96.8,s,
O,15,,,
C,16,149.17,s,
C,17,109.36,s,
C,18,43.86,s,
C,19,29.33,s,
C,20,52.3,s,
N,21,,,
C,22,42.3,s,
C,23,130.6,s,
C,24,114.0,s,
H,25,3.76,s,
H,26,3.76,s,
H,27,3.76,s,
H,28,6.93,ddd,"10.1,1.9,0.5"
H,29,7.71,ddd,"10.1,1.9,0.5"
H,30,5.16,d,13.0
H,31,2.14,ddd,"13.0,7.9,2.9"
H,32,6.02,d,2.9
H,33,5.5,s,
H,34,5.5,s,
H,35,6.02,d,3.1
H,36,3.21,m,
H,37,1.8,m,
H,38,1.8,m,
H,39,3.34,ddd,"12.4,10.7,2.4"
H,40,3.34,ddd,"12.4,10.9,7.0"
H,41,2.35,s,
H,42,2.35,s,
H,43,2.35,s,
H,44,7.71,ddd,"7.2,1.9,0.5"
H,45,6.93,ddd,"7.2,1.9,0.5"
