C,1,13.5,s,
S,2,,,
C,3,64.8,s,
C,4,164.3,s,
O,5,,,
N,6,,,
C,7,30.5,s,
C,8,75.8,s,
C,9,42.0,s,
C,10,124.8,s,
C,11,130.6,s,
C,12,115.5,s,
C,13,156.3,s,
O,14,,,
C,15,115.5,s,
C,16,130.6,s,
S,17,,,
C,18,15.8,s,
C,19,165.5,s,
O,20,,,
N,21,,,
C,22,33.5,s,
H,23,2.09,s,
H,24,2.09,s,
H,25,2.09,s,
H,26,5.53,s,
H,27,3.35,s,
H,28,3.35,s,
H,29,3.35,s,
H,30,2.05,s,
H,31,2.05,s,
H,32,6.92,ddd,"8.0,1.9,0.5"
H,33,6.71,ddd,"8.0,1.9,0.5"
H,34,,,
H,35,6.71,ddd,"7.9,1.9,0.5"
H,36,6.92,ddd,"7.9,1.9,0.5"
H,37,1.74,s,
H,38,1.74,s,
H,39,1.74,s,
H,40,3.01,s,
H,41,3.01,s,
H,42,3.01,s,
