C,1,35.95,s,
N,2,,,
C,3,129.4,s,
C,4,129.44,s,
C,5,130.1,s,
C,6,133.81,s,
C,7,168.25,s,
O,8,,,
C,9,149.74,s,
N,10,,,
C,11,127.06,s,
C,12,129.98,s,
N,13,,,
C,14,42.45,s,
C,15,53.35,s,
C,16,24.88,s,
H,17,4.27,s,
H,18,4.27,s,
H,19,4.27,s,
H,20,7.45,s,
H,21,,,
H,22,,,
H,23,6.44,s,
H,24,3.66,s,
H,25,3.66,s,
H,26,3.66,s,
H,27,4.12,ddd,"12.4,11.5,3.0"
H,28,4.12,ddd,"12.4,11.6,4.8"
H,29,3.33,ddd,"15.4,11.6,3.0"
H,30,3.33,ddd,"15.4,11.5,4.8"
