C,1,23.27,s,
C,2,24.65,s,
C,3,32.65,s,
C,4,45.42,s,
C,5,74.22,s,
O,6,,,
C,7,74.22,s,
O,8,,,
C,9,51.46,s,
C,10,24.6,s,
C,11,20.7,s,
C,12,47.1,s,
N,13,,,
C,14,47.4,s,
C,15,26.6,s,
C,16,25.35,s,
C,17,45.75,s,
C,18,55.2,s,
C,19,43.2,s,
H,20,0.89,d,6.4
H,21,0.89,d,6.4
H,22,0.89,d,6.4
H,23,1.49,m,
H,24,1.66,ddd,"12.4,10.0,1.9"
H,25,1.66,ddd,"12.4,7.4,5.5"
H,26,2.29,m,
H,27,4.19,dd,"7.5,7.2"
H,28,,,
H,29,4.19,dd,"7.2,4.9"
H,30,,,
H,31,2.93,ddd,"12.2,4.9,4.8"
H,32,1.58,m,
H,33,1.58,m,
H,34,1.56,m,
H,35,1.56,m,
H,36,2.9,ddd,"13.1,12.4,4.3"
H,37,2.9,ddd,"12.4,5.0,2.1"
H,38,1.69,ddd,"12.4,9.9,8.6"
H,39,1.69,ddd,"12.4,9.2,2.0"
H,40,1.56,m,
H,41,1.56,m,
H,42,1.58,m,
H,43,1.58,m,
H,44,2.83,ddd,"11.0,2.7,1.8"
H,45,2.02,dd,"12.4,10.3"
H,46,2.02,dd,"12.4,4.4"
