C,1,10.06,s,
C,2,36.57,s,
C,3,60.23,s,
N,4,,,
C,5,171.36,s,
O,6,,,
O,7,,,
C,8,77.38,s,
C,9,18.29,s,
H,10,1.0,d,6.6
H,11,1.0,d,6.6
H,12,1.0,d,6.6
H,13,2.3,ddq,"11.7,10.5,6.6"
H,14,3.64,d,11.7
H,15,,,
H,16,,,
H,17,4.58,dq,"10.5,6.2"
H,18,1.37,d,6.2
H,19,1.37,d,6.2
H,20,1.37,d,6.2
