C,1,90.6,s,
C,2,157.83,s,
O,3,,,
C,4,145.76,s,
C,5,102.89,s,
C,6,162.35,s,
O,7,,,
C,8,55.68,s,
C,9,124.4,s,
C,10,113.97,s,
C,11,169.15,s,
O,12,,,
O,13,,,
C,14,78.97,s,
C,15,67.4,s,
O,16,,,
C,17,171.28,s,
O,18,,,
C,19,37.35,s,
C,20,52.4,s,
N,21,,,
C,22,139.39,s,
C,23,111.52,s,
C,24,146.67,s,
O,25,,,
C,26,148.16,s,
C,27,131.45,s,
Cl,28,,,
C,29,129.03,s,
O,30,,,
C,31,73.63,s,
C,32,83.21,s,
C,33,81.9,s,
C,34,108.62,s,
C,35,126.9,s,
C,36,87.44,s,
C,37,87.44,s,
C,38,132.07,s,
C,39,131.07,s,
C,40,132.45,s,
C,41,135.73,s,
C,42,77.48,s,
O,43,,,
C,44,102.46,s,
O,45,,,
C,46,83.3,s,
C,47,25.38,s,
C,48,25.38,s,
C,49,57.53,s,
N,50,,,
C,51,41.56,s,
C,52,41.56,s,
C,53,75.26,s,
O,54,,,
C,55,73.73,s,
O,56,,,
C,57,131.02,s,
N,58,,,
C,59,162.36,s,
O,60,,,
H,61,4.22,s,
H,62,4.22,s,
H,63,6.47,d,1.9
H,64,3.8,s,
H,65,3.8,s,
H,66,3.8,s,
H,67,6.94,d,1.9
H,68,4.96,dd,"7.1,2.3"
H,69,4.05,dd,"9.4,2.3"
H,70,4.05,dd,"9.4,7.1"
H,71,2.79,dd,"15.4,6.2"
H,72,2.79,dd,"15.4,13.6"
H,73,4.15,dd,"13.6,6.2"
H,74,,,
H,75,,,
H,76,6.94,d,1.9
H,77,,,
H,78,7.57,d,1.9
H,79,4.52,s,
H,80,5.64,s,
H,81,6.88,d,3.9
H,82,6.87,dd,"8.2,3.9"
H,83,5.99,d,8.2
H,84,5.18,d,1.0
H,85,1.42,s,
H,86,1.42,s,
H,87,1.42,s,
H,88,1.42,s,
H,89,1.42,s,
H,90,1.42,s,
H,91,4.28,d,9.1
H,92,2.38,s,
H,93,2.38,s,
H,94,2.38,s,
H,95,2.38,s,
H,96,2.38,s,
H,97,2.38,s,
H,98,4.06,dd,"9.1,5.8"
H,99,,,
H,100,3.44,dd,"5.8,1.0"
H,101,,,
H,102,,,
