C,1,18.37,s,
C,2,31.44,s,
C,3,18.37,s,
C,4,73.63,s,
O,5,,,
C,6,171.0,s,
O,7,,,
C,8,60.44,s,
C,9,27.25,s,
C,10,17.42,s,
C,11,17.42,s,
N,12,,,
C,13,31.45,s,
C,14,171.19,s,
O,15,,,
C,16,77.6,s,
C,17,29.6,s,
C,18,18.3,s,
C,19,18.3,s,
O,20,,,
C,21,171.36,s,
O,22,,,
C,23,66.5,s,
C,24,32.4,s,
C,25,18.35,s,
C,26,18.35,s,
N,27,,,
C,28,162.36,s,
O,29,,,
C,30,73.63,s,
C,31,31.44,s,
C,32,18.37,s,
C,33,18.37,s,
O,34,,,
C,35,171.36,s,
O,36,,,
C,37,66.5,s,
C,38,32.4,s,
C,39,18.35,s,
C,40,18.35,s,
N,41,,,
C,42,162.36,s,
O,43,,,
H,44,0.94,d,6.4
H,45,0.94,d,6.4
H,46,0.94,d,6.4
H,47,1.87,m,"6.4,5.3"
H,48,0.94,d,6.4
H,49,0.94,d,6.4
H,50,0.94,d,6.4
H,51,4.52,d,5.3
H,52,4.45,d,5.7
H,53,2.14,m,"6.4,5.7"
H,54,1.08,d,6.4
H,55,1.08,d,6.4
H,56,1.08,d,6.4
H,57,1.08,d,6.4
H,58,1.08,d,6.4
H,59,1.08,d,6.4
H,60,2.91,s,
H,61,2.91,s,
H,62,2.91,s,
H,63,4.64,d,5.2
H,64,2.29,m,"6.4,5.2"
H,65,0.95,d,6.4
H,66,0.95,d,6.4
H,67,0.95,d,6.4
H,68,0.95,d,6.4
H,69,0.95,d,6.4
H,70,0.95,d,6.4
H,71,4.28,d,5.3
H,72,2.09,m,"6.4,5.3"
H,73,0.88,d,6.4
H,74,0.88,d,6.4
H,75,0.88,d,6.4
H,76,0.88,d,6.4
H,77,0.88,d,6.4
H,78,0.88,d,6.4
H,79,,,
H,80,4.52,d,5.3
H,81,1.87,m,"6.4,5.3"
H,82,0.94,d,6.4
H,83,0.94,d,6.4
H,84,0.94,d,6.4
H,85,0.94,d,6.4
H,86,0.94,d,6.4
H,87,0.94,d,6.4
H,88,4.28,d,5.3
H,89,2.09,m,"6.4,5.3"
H,90,0.88,d,6.4
H,91,0.88,d,6.4
H,92,0.88,d,6.4
H,93,0.88,d,6.4
H,94,0.88,d,6.4
H,95,0.88,d,6.4
H,96,,,
