C,1,51.2,s,
O,2,,,
C,3,166.9,s,
O,4,,,
C,5,135.48,s,
C,6,136.7,s,
C,7,25.98,s,
C,8,18.56,s,
C,9,48.76,s,
C,10,39.0,s,
C,11,15.22,s,
C,12,42.83,s,
C,13,83.52,s,
O,14,,,
C,15,103.29,s,
O,16,,,
C,17,70.83,s,
C,18,61.68,s,
O,19,,,
C,20,169.93,s,
C,21,20.67,s,
O,22,,,
C,23,68.54,s,
O,24,,,
C,25,169.5,s,
C,26,20.72,s,
O,27,,,
C,28,69.7,s,
O,29,,,
C,30,170.1,s,
C,31,20.61,s,
O,32,,,
C,33,70.07,s,
O,34,,,
C,35,170.04,s,
C,36,20.7,s,
O,37,,,
C,38,77.48,s,
O,39,,,
C,40,77.8,s,
O,41,,,
C,42,170.09,s,
C,43,21.04,s,
O,44,,,
C,45,102.46,s,
O,46,,,
C,47,55.39,s,
O,48,,,
C,49,99.28,s,
O,50,,,
C,51,58.75,s,
C,52,49.53,s,
C,53,35.12,s,
C,54,78.41,s,
O,55,,,
C,56,172.96,s,
O,57,,,
C,58,42.53,s,
C,59,16.94,s,
H,60,3.73,s,
H,61,3.73,s,
H,62,3.73,s,
H,63,5.54,dd,"5.2,2.9"
H,64,2.35,m,
H,65,2.35,m,
H,66,1.58,m,
H,67,1.58,m,
H,68,2.11,dd,"12.7,6.2"
H,69,0.82,s,
H,70,0.82,s,
H,71,0.82,s,
H,72,2.1,d,5.9
H,73,2.1,d,5.9
H,74,4.54,t,5.9
H,75,5.14,d,4.2
H,76,3.8,dt,"6.1,5.4"
H,77,4.18,d,5.4
H,78,4.18,d,5.4
H,79,2.02,s,
H,80,2.02,s,
H,81,2.02,s,
H,82,5.2,dd,"9.3,6.1"
H,83,2.03,s,
H,84,2.03,s,
H,85,2.03,s,
H,86,5.13,dd,"9.3,4.1"
H,87,2.03,s,
H,88,2.03,s,
H,89,2.03,s,
H,90,5.01,dd,"4.2,4.1"
H,91,1.99,s,
H,92,1.99,s,
H,93,1.99,s,
H,94,,,
H,95,4.52,d,5.6
H,96,2.04,s,
H,97,2.04,s,
H,98,2.04,s,
H,99,5.18,d,5.6
H,100,3.4,s,
H,101,3.4,s,
H,102,3.4,s,
H,103,5.59,s,
H,104,3.39,s,
H,105,3.39,s,
H,106,3.39,s,
H,107,2.86,dd,"6.5,2.2"
H,108,1.88,ddd,"12.4,2.2,0.2"
H,109,1.88,ddd,"12.4,6.5,4.3"
H,110,4.77,dd,"4.3,0.2"
H,111,1.19,s,
H,112,1.19,s,
H,113,1.19,s,
