C,1,17.91,s,
C,2,43.5,s,
C,3,172.96,s,
O,4,,,
O,5,,,
C,6,68.0,s,
C,7,36.4,s,
C,8,59.9,s,
C,9,25.37,s,
C,10,25.37,s,
C,11,59.9,s,
C,12,36.4,s,
N,13,,,
C,14,39.2,s,
C,15,138.6,s,
C,16,128.18,s,
C,17,128.15,s,
C,18,127.39,s,
C,19,128.15,s,
C,20,128.18,s,
H,21,1.35,d,6.8
H,22,1.35,d,6.8
H,23,1.35,d,6.8
H,24,3.74,q,6.8
H,25,5.03,m,
H,26,2.13,ddd,"12.4,12.0,3.2"
H,27,2.13,ddd,"12.4,9.7,3.0"
H,28,3.18,m,
H,29,2.03,m,
H,30,2.03,m,
H,31,2.03,m,
H,32,2.03,m,
H,33,3.18,m,
H,34,2.13,ddd,"12.4,11.9,1.8"
H,35,2.13,ddd,"12.4,8.9,5.4"
H,36,2.25,s,
H,37,2.25,s,
H,38,2.25,s,
H,39,7.23,m,
H,40,7.26,m,
H,41,7.24,ddt,"8.0,7.0,1.4"
H,42,7.26,m,
H,43,7.23,m,
