C,1,55.95,s,
O,2,,,
C,3,148.3,s,
C,4,113.0,s,
C,5,127.8,s,
C,6,142.71,s,
C,7,106.81,s,
C,8,149.7,s,
O,9,,,
C,10,56.15,s,
C,11,80.64,s,
O,12,,,
C,13,95.87,s,
O,14,,,
C,15,126.68,s,
C,16,131.87,s,
C,17,127.65,s,
C,18,111.07,s,
C,19,150.42,s,
O,20,,,
C,21,56.02,s,
C,22,145.43,s,
O,23,,,
C,24,60.98,s,
C,25,66.45,s,
N,26,,,
C,27,42.3,s,
C,28,56.65,s,
C,29,32.98,s,
H,30,3.8,s,
H,31,3.8,s,
H,32,3.8,s,
H,33,6.68,d,0.5
H,34,6.6,d,0.5
H,35,3.8,s,
H,36,3.8,s,
H,37,3.8,s,
H,38,5.11,d,4.0
H,39,5.21,s,
H,40,,,
H,41,7.32,d,7.0
H,42,7.13,d,7.0
H,43,3.87,s,
H,44,3.87,s,
H,45,3.87,s,
H,46,3.84,s,
H,47,3.84,s,
H,48,3.84,s,
H,49,4.28,d,4.0
H,50,2.35,s,
H,51,2.35,s,
H,52,2.35,s,
H,53,3.34,ddd,"12.4,12.0,1.7"
H,54,3.34,ddd,"12.4,6.5,1.8"
H,55,2.91,ddd,"13.4,12.0,1.8"
H,56,2.91,ddd,"13.4,6.5,1.7"
