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,23,130.3,s,
C,24,16.8,s,
C,25,125.13,s,
C,26,146.99,s,
C,27,130.14,s,
C,28,177.04,s,
O,29,,,
C,30,109.01,s,
Cl,31,,,
C,32,145.66,s,
N,33,,,
C,34,171.49,s,
O,35,,,
C,36,73.63,s,
C,37,133.32,s,
C,38,136.39,s,
C,39,52.2,s,
C,40,136.39,s,
C,41,129.2,s,
C,42,38.5,s,
C,43,17.4,s,
C,44,71.11,s,
O,45,,,
C,46,44.96,s,
C,47,,,
O,48,,,
C,49,77.48,s,
O,50,,,
H,51,1.98,s,
H,52,1.98,s,
H,53,1.98,s,
H,54,5.54,dd,"7.1,2.9"
H,55,2.44,ddd,"15.4,7.1,1.8"
H,56,2.44,ddd,"15.4,7.3,2.9"
H,57,4.42,ddd,"7.3,5.7,1.8"
H,58,,,
H,59,6.14,d,5.7
H,60,5.56,d,6.3
H,61,2.45,qdd,"6.8,6.3,1.5"
H,62,0.99,d,6.8
H,63,0.99,d,6.8
H,64,0.99,d,6.8
H,65,3.71,dd,"7.6,1.5"
H,66,,,
H,67,2.65,ddq,"7.8,7.6,6.8"
H,68,1.05,d,6.8
H,69,1.05,d,6.8
H,70,1.05,d,6.8
H,71,5.92,d,7.8
H,72,1.98,s,
H,73,1.98,s,
H,74,1.98,s,
H,75,,,
H,76,2.13,s,
H,77,2.13,s,
H,78,2.13,s,
H,79,7.24,s,
H,80,9.82,s,
H,81,4.52,d,6.3
H,82,6.14,d,6.3
H,83,6.16,d,2.7
H,84,2.02,dd,"4.9,2.7"
H,85,6.16,d,4.9
H,86,6.16,d,10.2
H,87,2.65,ddq,"10.2,9.3,6.8"
H,88,1.05,d,6.8
H,89,1.05,d,6.8
H,90,1.05,d,6.8
H,91,4.19,ddd,"10.1,9.3,7.1"
H,92,,,
H,93,2.77,dd,"15.4,10.1"
H,94,2.77,dd,"15.4,7.1"
