C,1,16.45,s,
C,2,31.9,s,
C,3,16.45,s,
C,4,83.9,s,
O,5,,,
C,6,174.6,s,
O,7,,,
O,8,,,
C,9,64.45,s,
C,10,41.92,s,
C,11,30.5,s,
C,12,56.65,s,
N,13,,,
C,14,54.8,s,
C,15,25.85,s,
C,16,29.58,s,
C,17,62.1,s,
C,18,72.5,s,
C,19,16.6,s,
O,20,,,
H,21,0.88,d,6.6
H,22,0.88,d,6.6
H,23,0.88,d,6.6
H,24,2.08,m,6.6
H,25,0.88,d,6.6
H,26,0.88,d,6.6
H,27,0.88,d,6.6
H,28,,,
H,29,4.46,d,5.8
H,30,4.46,d,5.8
H,31,2.4,m,
H,32,2.01,m,
H,33,2.01,m,
H,34,2.9,ddd,"9.4,7.0,0.6"
H,35,2.9,ddd,"13.5,9.4,6.4"
H,36,2.92,ddd,"11.1,9.4,5.0"
H,37,2.92,ddd,"11.2,9.4,7.2"
H,38,1.89,m,
H,39,1.89,m,
H,40,1.75,m,
H,41,1.75,m,
H,42,3.6,ddd,"11.0,6.6,3.5"
H,43,3.98,q,6.2
H,44,1.33,d,6.2
H,45,1.33,d,6.2
H,46,1.33,d,6.2
H,47,,,
