C,1,15.22,s,
C,2,35.66,s,
C,3,36.24,s,
C,4,64.27,s,
N,5,,,
C,6,49.76,s,
C,7,25.5,s,
C,8,28.16,s,
C,9,57.29,s,
C,10,,,
O,11,,,
C,12,43.37,s,
C,13,49.79,s,
C,14,70.82,s,
O,15,,,
C,16,41.86,s,
C,17,35.28,s,
C,18,20.97,s,
C,19,53.21,s,
H,20,1.0,d,6.5
H,21,1.0,d,6.5
H,22,1.0,d,6.5
H,23,2.08,m,
H,24,1.87,ddd,"12.4,8.8,5.5"
H,25,1.87,ddd,"12.4,9.9,7.5"
H,26,3.78,dd,"8.8,7.5"
H,27,3.34,ddd,"12.4,7.1,1.2"
H,28,3.34,ddd,"12.4,10.7,8.0"
H,29,1.71,m,
H,30,1.71,m,
H,31,1.58,m,
H,32,1.58,m,
H,33,2.69,dd,"12.0,2.2"
H,34,2.74,dd,"18.4,6.6"
H,35,2.74,dd,"18.4,12.4"
H,36,2.12,ddd,"12.4,6.6,4.2"
H,37,4.79,dd,"7.5,4.2"
H,38,,,
H,39,1.72,ddd,"12.4,11.6,4.2"
H,40,1.72,ddd,"12.4,11.7,2.5"
H,41,1.61,m,
H,42,1.61,m,
H,43,2.66,ddd,"12.4,10.8,4.5"
H,44,2.66,ddd,"12.4,11.1,2.9"
