C,1,56.33,s,
O,2,,,
C,3,148.07,s,
C,4,108.87,s,
C,5,133.6,s,
C,6,43.9,s,
C,7,50.3,s,
C,8,172.96,s,
O,9,,,
O,10,,,
C,11,77.06,s,
C,12,35.12,s,
C,13,37.64,s,
C,14,32.51,s,
C,15,18.38,s,
C,16,62.6,s,
N,17,,,
C,18,44.97,s,
C,19,53.83,s,
C,20,40.4,s,
C,21,42.36,s,
C,22,15.05,s,
C,23,43.9,s,
C,24,133.6,s,
C,25,118.9,s,
C,26,115.36,s,
C,27,145.53,s,
O,28,,,
C,29,148.07,s,
O,30,,,
C,31,56.33,s,
C,32,108.87,s,
C,33,50.3,s,
C,34,172.96,s,
O,35,,,
O,36,,,
C,37,77.06,s,
C,38,35.12,s,
C,39,37.64,s,
C,40,32.51,s,
C,41,18.38,s,
C,42,62.6,s,
N,43,,,
C,44,44.97,s,
C,45,53.83,s,
C,46,40.4,s,
C,47,42.36,s,
C,48,15.05,s,
C,49,118.9,s,
C,50,115.36,s,
C,51,145.53,s,
O,52,,,
H,53,3.86,s,
H,54,3.86,s,
H,55,3.86,s,
H,56,6.65,dd,"1.9,0.5"
H,57,2.83,dd,"10.0,9.6"
H,58,2.7,dd,"9.8,9.6"
H,59,5.22,ddd,"8.8,8.2,6.7"
H,60,1.98,ddd,"12.4,10.8,8.2"
H,61,1.98,ddd,"12.4,8.8,5.1"
H,62,1.55,m,
H,63,2.78,m,
H,64,1.04,d,6.5
H,65,1.04,d,6.5
H,66,1.04,d,6.5
H,67,3.31,dd,"12.4,6.8"
H,68,3.31,dd,"12.4,11.0"
H,69,2.28,s,
H,70,2.28,s,
H,71,2.28,s,
H,72,3.31,dd,"12.4,10.1"
H,73,3.31,dd,"12.4,7.7"
H,74,2.83,m,
H,75,2.01,dqd,"6.7,6.6,1.3"
H,76,0.99,d,6.6
H,77,0.99,d,6.6
H,78,0.99,d,6.6
H,79,2.83,dd,"9.8,4.2"
H,80,6.96,dd,"8.5,1.9"
H,81,7.09,dd,"8.5,0.5"
H,82,,,
H,83,3.86,s,
H,84,3.86,s,
H,85,3.86,s,
H,86,6.65,dd,"1.9,0.5"
H,87,2.7,dd,"10.0,4.2"
H,88,5.22,ddd,"8.6,5.4,1.3"
H,89,1.98,ddd,"12.4,8.6,4.5"
H,90,1.98,ddd,"12.4,10.7,1.3"
H,91,1.55,m,
H,92,2.78,m,
H,93,1.04,d,6.5
H,94,1.04,d,6.5
H,95,1.04,d,6.5
H,96,3.31,dd,"12.4,6.4"
H,97,3.31,dd,"12.4,1.7"
H,98,2.28,s,
H,99,2.28,s,
H,100,2.28,s,
H,101,3.31,dd,"12.4,9.1"
H,102,3.31,dd,"12.4,7.7"
H,103,2.83,m,
H,104,2.01,dqd,"10.1,6.6,5.4"
H,105,0.99,d,6.6
H,106,0.99,d,6.6
H,107,0.99,d,6.6
H,108,6.96,dd,"9.7,1.9"
H,109,7.09,dd,"9.7,0.5"
H,110,,,
