C,1,18.0,s,
S,2,,,
C,3,115.15,s,
C,4,145.66,s,
N,5,,,
C,6,164.83,s,
O,7,,,
C,8,114.3,s,
C,9,132.45,s,
C,10,131.94,s,
C,11,131.94,s,
C,12,126.66,s,
C,13,137.07,s,
C,14,38.5,s,
C,15,17.4,s,
C,16,71.11,s,
O,17,,,
C,18,44.96,s,
C,19,,,
O,20,,,
C,21,138.67,s,
C,22,15.99,s,
C,23,140.3,s,
C,24,33.8,s,
C,25,72.1,s,
O,26,,,
C,27,135.18,s,
C,28,133.8,s,
C,29,36.4,s,
C,30,19.7,s,
C,31,79.8,s,
O,32,,,
C,33,36.9,s,
C,34,18.43,s,
C,35,132.74,s,
C,36,140.68,s,
C,37,15.37,s,
C,38,199.5,s,
O,39,,,
C,40,116.46,s,
C,41,156.9,s,
O,42,,,
C,43,131.45,s,
C,44,16.73,s,
C,45,130.1,s,
C,46,130.04,s,
C,47,133.04,s,
C,48,188.7,s,
O,49,,,
C,50,194.75,s,
O,51,,,
H,52,2.38,s,
H,53,2.38,s,
H,54,2.38,s,
H,55,,,
H,56,6.16,s,
H,57,6.87,d,2.1
H,58,6.56,d,2.1
H,59,6.56,d,2.6
H,60,6.18,d,2.6
H,61,5.54,d,3.1
H,62,2.65,qdd,"6.8,3.9,3.1"
H,63,1.05,d,6.8
H,64,1.05,d,6.8
H,65,1.05,d,6.8
H,66,4.19,ddd,"9.1,7.6,3.9"
H,67,,,
H,68,2.77,dd,"15.4,9.1"
H,69,2.77,dd,"15.4,7.6"
H,70,1.98,s,
H,71,1.98,s,
H,72,1.98,s,
H,73,5.54,dd,"6.5,5.8"
H,74,2.44,ddd,"15.4,12.5,5.8"
H,75,2.44,ddd,"15.4,6.5,3.1"
H,76,4.42,ddd,"12.5,8.8,3.1"
H,77,,,
H,78,6.14,d,8.8
H,79,5.56,d,11.6
H,80,2.45,ddq,"11.6,8.5,6.8"
H,81,0.99,d,6.8
H,82,0.99,d,6.8
H,83,0.99,d,6.8
H,84,3.71,dd,"9.2,8.5"
H,85,,,
H,86,2.65,dqd,"9.2,6.8,4.7"
H,87,1.05,d,6.8
H,88,1.05,d,6.8
H,89,1.05,d,6.8
H,90,5.92,d,4.7
H,91,1.98,s,
H,92,1.98,s,
H,93,1.98,s,
H,94,,,
H,95,2.31,s,
H,96,2.31,s,
H,97,2.31,s,
H,98,7.8,s,
