C,1,20.18,s,
C,2,28.67,s,
C,3,20.18,s,
C,4,41.63,s,
C,5,10.58,s,
C,6,75.45,s,
O,7,,,
C,8,73.62,s,
O,9,,,
C,10,39.26,s,
C,11,12.38,s,
C,12,52.93,s,
C,13,27.97,s,
C,14,24.74,s,
C,15,57.4,s,
C,16,36.72,s,
C,17,29.42,s,
C,18,29.11,s,
C,19,43.7,s,
C,20,37.91,s,
C,21,71.23,s,
O,22,,,
C,23,31.48,s,
C,24,36.39,s,
C,25,36.02,s,
C,26,18.12,s,
C,27,44.88,s,
C,28,21.91,s,
C,29,40.98,s,
C,30,43.1,s,
C,31,11.97,s,
H,32,0.95,d,6.4
H,33,0.95,d,6.4
H,34,0.95,d,6.4
H,35,1.61,m,"6.4,5.3"
H,36,0.95,d,6.4
H,37,0.95,d,6.4
H,38,0.95,d,6.4
H,39,1.22,qdd,"6.6,5.3,5.1"
H,40,0.85,d,6.6
H,41,0.85,d,6.6
H,42,0.85,d,6.6
H,43,3.72,dd,"5.1,4.8"
H,44,,,
H,45,3.56,dd,"5.1,4.8"
H,46,,,
H,47,1.5,qdd,"6.6,5.6,5.1"
H,48,0.91,d,6.6
H,49,0.91,d,6.6
H,50,0.91,d,6.6
H,51,1.58,ddd,"10.9,8.8,5.6"
H,52,1.62,m,
H,53,1.62,m,
H,54,1.32,m,
H,55,1.32,m,
H,56,1.02,ddd,"13.2,5.5,1.5"
H,57,1.86,m,
H,58,1.58,m,
H,59,1.58,m,
H,60,1.47,m,
H,61,1.47,m,
H,62,1.09,m,
H,63,1.39,ddd,"12.4,9.8,4.3"
H,64,1.39,ddd,"12.4,12.3,2.8"
H,65,3.95,m,
H,66,,,
H,67,1.64,m,
H,68,1.64,m,
H,69,1.5,ddd,"12.4,9.3,8.6"
H,70,1.5,ddd,"12.4,9.0,1.5"
H,71,0.93,s,
H,72,0.93,s,
H,73,0.93,s,
H,74,0.83,ddd,"12.7,6.1,4.2"
H,75,1.46,m,
H,76,1.46,m,
H,77,1.73,ddd,"12.4,4.4,1.3"
H,78,1.73,ddd,"12.4,12.2,2.5"
H,79,0.69,s,
H,80,0.69,s,
H,81,0.69,s,
