C,1,15.61,s,
C,2,139.01,s,
C,3,127.36,s,
C,4,18.81,s,
C,5,167.45,s,
O,6,,,
O,7,,,
C,8,78.41,s,
C,9,37.72,s,
C,10,75.84,s,
O,11,,,
C,12,51.5,s,
C,13,72.44,s,
O,14,,,
C,15,77.64,s,
C,16,172.45,s,
O,17,,,
O,18,,,
C,19,53.3,s,
C,20,54.99,s,
C,21,48.25,s,
C,22,12.21,s,
C,23,62.18,s,
O,24,,,
C,25,77.48,s,
C,26,25.81,s,
C,27,51.64,s,
C,28,35.12,s,
C,29,83.52,s,
O,30,,,
C,31,99.28,s,
O,32,,,
C,33,150.18,s,
C,34,106.2,s,
C,35,77.48,s,
O,36,,,
C,37,77.86,s,
O,38,,,
C,39,79.25,s,
O,40,,,
C,41,72.44,s,
C,42,54.9,s,
C,43,174.33,s,
O,44,,,
O,45,,,
C,46,52.29,s,
C,47,51.51,s,
H,48,1.9,d,7.0
H,49,1.9,d,7.0
H,50,1.9,d,7.0
H,51,6.46,q,7.0
H,52,1.87,s,
H,53,1.87,s,
H,54,1.87,s,
H,55,5.5,dd,"9.4,1.0"
H,56,2.42,ddd,"12.4,9.4,5.5"
H,57,2.42,ddd,"12.4,2.7,1.0"
H,58,2.63,dd,"5.5,2.7"
H,59,,,
H,60,3.77,s,
H,61,3.77,s,
H,62,4.42,d,4.0
H,63,3.76,s,
H,64,3.76,s,
H,65,3.76,s,
H,66,3.02,d,4.0
H,67,1.53,s,
H,68,1.53,s,
H,69,1.53,s,
H,70,2.04,s,
H,71,2.04,s,
H,72,2.04,s,
H,73,2.35,dd,"4.7,1.0"
H,74,1.54,ddd,"12.4,2.0,1.0"
H,75,1.54,ddd,"12.4,4.7,1.9"
H,76,4.55,dd,"2.0,1.9"
H,77,5.68,s,
H,78,6.41,d,5.4
H,79,5.02,d,5.4
H,80,,,
H,81,4.69,d,8.3
H,82,,,
H,83,4.53,dd,"8.3,2.9"
H,84,4.07,s,
H,85,4.07,s,
H,86,3.71,s,
H,87,3.71,s,
H,88,3.71,s,
H,89,3.22,d,2.9
