C,1,15.99,s,
C,2,138.67,s,
C,3,140.3,s,
C,4,33.8,s,
C,5,72.1,s,
O,6,,,
C,7,135.18,s,
C,8,133.8,s,
C,9,36.4,s,
C,10,19.7,s,
C,11,79.8,s,
O,12,,,
C,13,36.9,s,
C,14,18.43,s,
C,15,132.74,s,
C,16,140.68,s,
C,17,15.37,s,
C,18,199.5,s,
O,19,,,
C,20,116.46,s,
C,21,156.9,s,
O,22,,,
C,23,131.45,s,
C,24,16.73,s,
C,25,130.1,s,
C,26,130.04,s,
C,27,133.04,s,
C,28,188.7,s,
O,29,,,
C,30,115.15,s,
C,31,145.66,s,
N,32,,,
C,33,162.36,s,
O,34,,,
C,35,54.17,s,
C,36,27.03,s,
C,37,133.8,s,
C,38,129.35,s,
C,39,190.51,s,
O,40,,,
C,41,129.35,s,
C,42,148.4,s,
C,43,38.5,s,
C,44,17.4,s,
C,45,71.11,s,
O,46,,,
C,47,44.96,s,
C,48,,,
O,49,,,
S,50,,,
C,51,194.75,s,
O,52,,,
H,53,1.98,s,
H,54,1.98,s,
H,55,1.98,s,
H,56,5.54,dd,"6.3,3.3"
H,57,2.44,ddd,"15.4,11.1,6.3"
H,58,2.44,ddd,"15.4,3.3,1.4"
H,59,4.42,ddd,"11.1,7.9,1.4"
H,60,,,
H,61,6.14,d,7.9
H,62,5.56,d,8.8
H,63,2.45,tq,"8.8,6.8"
H,64,0.99,d,6.8
H,65,0.99,d,6.8
H,66,0.99,d,6.8
H,67,3.71,dd,"10.3,8.8"
H,68,,,
H,69,2.65,dqd,"10.3,6.8,4.2"
H,70,1.05,d,6.8
H,71,1.05,d,6.8
H,72,1.05,d,6.8
H,73,5.92,d,4.2
H,74,1.98,s,
H,75,1.98,s,
H,76,1.98,s,
H,77,,,
H,78,2.31,s,
H,79,2.31,s,
H,80,2.31,s,
H,81,7.8,s,
H,82,,,
H,83,1.53,s,
H,84,1.53,s,
H,85,1.53,s,
H,86,6.12,s,
H,87,6.72,s,
H,88,6.72,s,
H,89,6.16,d,5.7
H,90,2.65,qdd,"6.8,5.7,3.1"
H,91,1.05,d,6.8
H,92,1.05,d,6.8
H,93,1.05,d,6.8
H,94,4.19,ddd,"7.1,3.1,2.0"
H,95,,,
H,96,2.77,dd,"15.4,7.1"
H,97,2.77,dd,"15.4,2.0"
