C,1,15.61,s,
C,2,139.01,s,
C,3,127.36,s,
C,4,18.81,s,
C,5,167.45,s,
O,6,,,
O,7,,,
C,8,66.89,s,
C,9,34.1,s,
C,10,58.37,s,
N,11,,,
C,12,56.95,s,
C,13,33.5,s,
C,14,36.08,s,
C,15,76.59,s,
O,16,,,
C,17,167.0,s,
O,18,,,
C,19,127.5,s,
C,20,20.5,s,
C,21,138.8,s,
C,22,15.61,s,
H,23,1.9,d,7.0
H,24,1.9,d,7.0
H,25,1.9,d,7.0
H,26,6.46,q,7.0
H,27,1.87,s,
H,28,1.87,s,
H,29,1.87,s,
H,30,5.05,m,
H,31,2.2,ddd,"12.4,8.9,7.3"
H,32,2.2,ddd,"12.4,10.1,0.5"
H,33,3.7,ddd,"8.9,0.9,0.5"
H,34,,,
H,35,2.83,m,
H,36,2.2,ddd,"12.4,9.5,1.0"
H,37,2.2,ddd,"12.4,8.3,7.7"
H,38,2.2,ddd,"12.4,8.2,1.7"
H,39,2.2,ddd,"12.4,8.9,0.8"
H,40,4.89,ddd,"8.2,0.9,0.8"
H,41,1.87,s,
H,42,1.87,s,
H,43,1.87,s,
H,44,6.46,q,7.0
H,45,1.9,d,7.0
H,46,1.9,d,7.0
H,47,1.9,d,7.0
