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,20,150.42,s,
O,21,,,
C,22,56.02,s,
C,23,145.43,s,
O,24,,,
C,25,60.98,s,
C,26,66.45,s,
N,27,,,
C,28,42.3,s,
C,29,56.65,s,
C,30,32.98,s,
H,31,3.8,s,
H,32,3.8,s,
H,33,3.8,s,
H,34,6.68,d,0.5
H,35,6.6,d,0.5
H,36,3.8,s,
H,37,3.8,s,
H,38,3.8,s,
H,39,5.11,d,8.7
H,40,5.61,s,
H,41,3.35,s,
H,42,3.35,s,
H,43,3.35,s,
H,44,7.32,d,7.8
H,45,7.13,d,7.8
H,46,3.87,s,
H,47,3.87,s,
H,48,3.87,s,
H,49,3.84,s,
H,50,3.84,s,
H,51,3.84,s,
H,52,4.28,d,8.7
H,53,2.35,s,
H,54,2.35,s,
H,55,2.35,s,
H,56,3.34,ddd,"12.4,4.7,2.0"
H,57,3.34,ddd,"12.5,12.4,1.5"
H,58,2.91,ddd,"13.4,12.5,2.0"
H,59,2.91,ddd,"13.4,4.7,1.5"
