C,1,18.87,s,
C,2,40.4,s,
C,3,66.5,s,
N,4,,,
C,5,151.06,s,
C,6,143.45,s,
C,7,119.28,s,
C,8,111.25,s,
C,9,134.94,s,
C,10,56.44,s,
O,11,,,
N,12,,,
C,13,57.53,s,
C,14,171.36,s,
O,15,,,
O,16,,,
C,17,77.38,s,
C,18,18.29,s,
C,19,36.57,s,
C,20,10.06,s,
C,21,171.36,s,
O,22,,,
O,23,,,
C,24,77.38,s,
C,25,18.29,s,
H,26,1.03,d,6.6
H,27,1.03,d,6.6
H,28,1.03,d,6.6
H,29,2.83,ddq,"10.7,10.3,6.6"
H,30,4.28,d,10.7
H,31,8.55,s,
H,32,6.03,d,3.7
H,33,6.3,d,3.7
H,34,5.15,s,
H,35,5.15,s,
H,36,,,
H,37,4.85,d,11.8
H,38,4.58,dq,"10.3,6.2"
H,39,1.37,d,6.2
H,40,1.37,d,6.2
H,41,1.37,d,6.2
H,42,2.3,ddq,"11.8,10.3,6.6"
H,43,1.0,d,6.6
H,44,1.0,d,6.6
H,45,1.0,d,6.6
H,46,4.58,dq,"10.3,6.2"
H,47,1.37,d,6.2
H,48,1.37,d,6.2
H,49,1.37,d,6.2
