C,1,52.29,s,
O,2,,,
C,3,174.33,s,
O,4,,,
C,5,48.8,s,
C,6,49.84,s,
C,7,,,
O,8,,,
C,9,48.88,s,
C,10,29.4,s,
C,11,20.29,s,
C,12,20.29,s,
C,13,43.37,s,
C,14,,,
O,15,,,
C,16,45.99,s,
C,17,18.5,s,
C,18,26.84,s,
C,19,24.46,s,
C,20,37.4,s,
C,21,30.9,s,
C,22,20.6,s,
C,23,109.36,s,
C,24,159.45,s,
O,25,,,
C,26,88.52,s,
C,27,27.45,s,
C,28,37.71,s,
C,29,47.17,s,
C,30,166.7,s,
C,31,126.29,s,
C,32,37.62,s,
C,33,73.7,s,
C,34,24.74,s,
O,35,,,
C,36,83.52,s,
C,37,24.6,s,
C,38,35.22,s,
C,39,80.53,s,
C,40,23.64,s,
O,41,,,
C,42,75.9,s,
O,43,,,
C,44,29.43,s,
C,45,35.68,s,
C,46,135.3,s,
C,47,23.8,s,
C,48,132.74,s,
C,49,54.79,s,
H,50,3.63,s,
H,51,3.63,s,
H,52,3.63,s,
H,53,2.57,s,
H,54,2.57,s,
H,55,3.82,ddd,"10.0,5.5,1.7"
H,56,1.87,m,"6.4,5.5"
H,57,0.88,d,6.4
H,58,0.88,d,6.4
H,59,0.88,d,6.4
H,60,0.88,d,6.4
H,61,0.88,d,6.4
H,62,0.88,d,6.4
H,63,2.74,dd,"15.4,10.0"
H,64,2.74,dd,"15.4,1.7"
H,65,2.78,qdd,"6.6,3.6,3.1"
H,66,1.12,d,6.6
H,67,1.12,d,6.6
H,68,1.12,d,6.6
H,69,1.56,m,
H,70,1.56,m,
H,71,1.26,m,
H,72,1.26,m,
H,73,1.58,m,
H,74,1.58,m,
H,75,2.47,m,
H,76,0.98,d,6.7
H,77,0.98,d,6.7
H,78,0.98,d,6.7
H,79,6.02,d,6.6
H,80,1.78,s,
H,81,1.78,s,
H,82,1.78,s,
H,83,1.96,dd,"12.4,2.9"
H,84,1.96,dd,"12.4,3.2"
H,85,2.83,dd,"3.2,2.9"
H,86,5.54,dd,"10.7,4.5"
H,87,2.3,dd,"15.4,4.5"
H,88,2.3,dd,"15.4,10.7"
H,89,1.36,s,
H,90,1.36,s,
H,91,1.36,s,
H,92,,,
H,93,4.54,dd,"9.4,7.8"
H,94,2.11,m,
H,95,2.11,m,
H,96,1.9,ddd,"12.4,12.0,5.8"
H,97,1.9,ddd,"12.4,11.8,3.6"
H,98,1.46,s,
H,99,1.46,s,
H,100,1.46,s,
H,101,4.08,dd,"7.2,0.9"
H,102,,,
H,103,1.8,m,
H,104,1.8,m,
H,105,2.21,ddd,"15.4,13.8,6.2"
H,106,2.21,ddd,"15.4,13.2,1.2"
H,107,1.71,s,
H,108,1.71,s,
H,109,1.71,s,
H,110,5.92,d,9.9
H,111,4.03,d,9.9
