C,1,57.97,s,
O,2,,,
C,3,158.07,s,
C,4,98.0,s,
C,5,163.2,s,
O,6,,,
N,7,,,
C,8,29.0,s,
C,9,139.9,s,
C,10,113.9,s,
C,11,131.2,s,
C,12,123.4,s,
C,13,121.5,s,
C,14,115.72,s,
H,15,3.74,s,
H,16,3.74,s,
H,17,3.74,s,
H,18,6.2,d,0.5
H,19,3.7,s,
H,20,3.7,s,
H,21,3.7,s,
H,22,7.32,ddd,"7.5,1.4,0.5"
H,23,7.43,ddd,"8.7,7.5,1.4"
H,24,7.35,ddd,"8.7,6.2,1.4"
H,25,7.56,ddt,"6.2,1.4,0.5"
