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,9,36.58,s,
C,10,78.41,s,
O,11,,,
C,12,170.18,s,
C,13,21.24,s,
O,14,,,
C,15,48.79,s,
C,16,21.15,s,
C,17,174.33,s,
O,18,,,
O,19,,,
C,20,52.29,s,
C,21,48.76,s,
C,22,35.12,s,
C,23,75.4,s,
O,24,,,
C,25,170.4,s,
C,26,21.2,s,
O,27,,,
C,28,48.25,s,
C,29,12.21,s,
C,30,54.99,s,
C,31,75.65,s,
O,32,,,
C,33,169.91,s,
C,34,21.2,s,
O,35,,,
C,36,57.7,s,
C,37,172.96,s,
O,38,,,
O,39,,,
C,40,67.1,s,
C,41,21.86,s,
C,42,21.86,s,
C,43,57.1,s,
C,44,17.3,s,
C,45,45.1,s,
C,46,123.77,s,
C,47,111.13,s,
C,48,142.63,s,
O,49,,,
C,50,140.2,s,
C,51,35.12,s,
C,52,60.94,s,
O,53,,,
C,54,77.48,s,
C,55,44.06,s,
C,56,12.18,s,
H,57,1.9,d,7.0
H,58,1.9,d,7.0
H,59,1.9,d,7.0
H,60,6.46,q,7.0
H,61,1.87,s,
H,62,1.87,s,
H,63,1.87,s,
H,64,4.99,dd,"12.6,4.0"
H,65,2.32,ddd,"12.6,12.4,11.4"
H,66,2.32,ddd,"12.4,4.1,4.0"
H,67,5.95,dd,"11.4,4.1"
H,68,2.01,s,
H,69,2.01,s,
H,70,2.01,s,
H,71,1.31,s,
H,72,1.31,s,
H,73,1.31,s,
H,74,3.63,s,
H,75,3.63,s,
H,76,3.63,s,
H,77,2.11,dd,"12.4,3.2"
H,78,1.88,ddd,"12.4,3.6,3.2"
H,79,1.88,td,"12.4,2.5"
H,80,5.45,dd,"3.6,2.5"
H,81,2.01,s,
H,82,2.01,s,
H,83,2.01,s,
H,84,1.46,s,
H,85,1.46,s,
H,86,1.46,s,
H,87,2.65,d,6.4
H,88,4.8,dd,"10.4,6.4"
H,89,2.01,s,
H,90,2.01,s,
H,91,2.01,s,
H,92,2.83,d,10.4
H,93,4.99,m,6.0
H,94,1.22,d,6.0
H,95,1.22,d,6.0
H,96,1.22,d,6.0
H,97,1.22,d,6.0
H,98,1.22,d,6.0
H,99,1.22,d,6.0
H,100,1.13,s,
H,101,1.13,s,
H,102,1.13,s,
H,103,3.29,dd,"13.3,4.7"
H,104,6.28,dd,"2.8,1.9"
H,105,7.25,d,2.8
H,106,7.39,d,1.9
H,107,1.88,ddd,"13.3,12.4,1.0"
H,108,1.88,ddd,"12.4,6.6,4.7"
H,109,3.37,dd,"6.6,1.0"
H,110,0.91,s,
H,111,0.91,s,
H,112,0.91,s,
