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,13,95.63,s,
O,14,,,
C,15,55.5,s,
C,16,126.68,s,
C,17,131.87,s,
C,18,127.65,s,
C,19,111.07,s,
C,20,147.38,s,
C,21,145.43,s,
O,22,,,
C,23,101.57,s,
O,24,,,
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,5.1
H,39,5.61,s,
H,40,3.35,s,
H,41,3.35,s,
H,42,3.35,s,
H,43,7.32,d,9.1
H,44,6.84,d,9.1
H,45,5.88,s,
H,46,5.88,s,
H,47,4.28,d,5.1
H,48,2.35,s,
H,49,2.35,s,
H,50,2.35,s,
H,51,3.34,ddd,"12.4,4.1,3.1"
H,52,3.34,ddd,"12.8,12.4,2.6"
H,53,2.91,ddd,"13.4,12.8,4.1"
H,54,2.91,ddd,"13.4,3.1,2.6"
