C,1,20.33,s,
C,2,24.36,s,
C,3,20.33,s,
C,4,121.71,s,
C,5,151.85,s,
O,6,,,
C,7,180.09,s,
O,8,,,
C,9,146.03,s,
C,10,136.65,s,
C,11,133.0,s,
C,12,159.7,s,
C,13,36.73,s,
C,14,27.73,s,
C,15,27.73,s,
C,16,39.64,s,
C,17,18.9,s,
C,18,35.28,s,
C,19,39.85,s,
C,20,26.2,s,
C,21,183.73,s,
O,22,,,
H,23,1.09,d,6.7
H,24,1.09,d,6.7
H,25,1.09,d,6.7
H,26,2.76,m,6.7
H,27,1.09,d,6.7
H,28,1.09,d,6.7
H,29,1.09,d,6.7
H,30,,,
H,31,7.39,s,
H,32,1.14,s,
H,33,1.14,s,
H,34,1.14,s,
H,35,1.14,s,
H,36,1.14,s,
H,37,1.14,s,
H,38,1.57,ddd,"12.4,4.7,2.9"
H,39,1.57,ddd,"13.1,12.4,5.5"
H,40,1.87,m,
H,41,1.87,m,
H,42,2.56,ddd,"12.4,10.0,9.4"
H,43,2.56,ddd,"12.4,9.0,1.5"
H,44,1.55,s,
H,45,1.55,s,
H,46,1.55,s,
