C,1,22.71,s,
C,2,170.47,s,
O,3,,,
N,4,,,
C,5,55.95,s,
C,6,37.35,s,
C,7,171.28,s,
O,8,,,
O,9,,,
C,10,69.9,s,
C,11,72.31,s,
O,12,,,
C,13,130.1,s,
C,14,127.92,s,
C,15,120.61,s,
C,16,142.71,s,
C,17,130.1,s,
C,18,130.81,s,
Cl,19,,,
C,20,153.3,s,
C,21,131.07,s,
C,22,132.45,s,
C,23,135.73,s,
C,24,77.48,s,
O,25,,,
C,26,102.46,s,
O,27,,,
C,28,83.3,s,
C,29,25.38,s,
C,30,25.38,s,
C,31,57.53,s,
N,32,,,
C,33,41.56,s,
C,34,41.56,s,
C,35,75.26,s,
O,36,,,
C,37,73.73,s,
O,38,,,
C,39,87.5,s,
O,40,,,
C,41,148.16,s,
C,42,146.67,s,
O,43,,,
C,44,111.52,s,
C,45,139.39,s,
C,46,129.03,s,
C,47,131.45,s,
Cl,48,,,
H,49,1.91,s,
H,50,1.91,s,
H,51,1.91,s,
H,52,7.4,d,7.0
H,53,4.49,ddd,"13.4,7.0,6.0"
H,54,2.79,dd,"15.4,13.4"
H,55,2.79,dd,"15.4,6.0"
H,56,4.05,dd,"9.4,9.1"
H,57,4.05,dd,"9.4,1.9"
H,58,5.55,dd,"9.1,1.9"
H,59,,,
H,60,7.56,d,28.3
H,61,8.04,d,28.3
H,62,6.88,d,2.9
H,63,6.87,dd,"7.9,2.9"
H,64,5.99,d,7.9
H,65,5.18,d,3.8
H,66,1.42,s,
H,67,1.42,s,
H,68,1.42,s,
H,69,1.42,s,
H,70,1.42,s,
H,71,1.42,s,
H,72,4.28,d,8.5
H,73,2.38,s,
H,74,2.38,s,
H,75,2.38,s,
H,76,2.38,s,
H,77,2.38,s,
H,78,2.38,s,
H,79,4.06,dd,"8.5,8.3"
H,80,,,
H,81,3.44,dd,"8.3,3.8"
H,82,,,
H,83,5.65,s,
H,84,,,
H,85,6.94,d,1.9
H,86,7.57,d,1.9
