C,1,14.08,s,
C,2,22.67,s,
C,3,31.8,s,
C,4,29.42,s,
C,5,29.59,s,
C,6,29.55,s,
C,7,29.55,s,
C,8,29.26,s,
C,9,29.26,s,
C,10,29.55,s,
C,11,29.65,s,
C,12,30.0,s,
C,13,28.86,s,
C,14,29.03,s,
C,15,28.84,s,
C,16,27.2,s,
C,17,126.6,s,
C,18,138.95,s,
Cl,19,,,
C,20,36.03,s,
C,21,27.2,s,
C,22,130.64,s,
C,23,130.52,s,
C,24,29.01,s,
C,25,24.6,s,
C,26,24.74,s,
C,27,31.0,s,
C,28,76.51,s,
O,29,,,
C,30,69.15,s,
C,31,53.84,s,
N,32,,,
C,33,75.26,s,
O,34,,,
H,35,0.88,t,7.0
H,36,0.88,t,7.0
H,37,0.88,t,7.0
H,38,1.27,qt,"7.0,6.5"
H,39,1.27,qt,"7.0,6.5"
H,40,1.27,tt,"6.6,6.5"
H,41,1.27,tt,"6.6,6.5"
H,42,1.26,m,6.6
H,43,1.26,m,6.6
H,44,1.25,m,6.6
H,45,1.25,m,6.6
H,46,1.26,m,6.6
H,47,1.26,m,6.6
H,48,1.26,m,6.6
H,49,1.26,m,6.6
H,50,1.26,m,6.6
H,51,1.26,m,6.6
H,52,1.26,m,6.6
H,53,1.26,m,6.6
H,54,1.26,m,6.6
H,55,1.26,m,6.6
H,56,1.26,m,6.6
H,57,1.26,m,6.6
H,58,1.23,m,6.6
H,59,1.23,m,6.6
H,60,1.26,m,6.6
H,61,1.26,m,6.6
H,62,1.29,m,6.6
H,63,1.29,m,6.6
H,64,1.38,tt,"6.8,6.6"
H,65,1.38,tt,"6.8,6.6"
H,66,2.18,dt,"7.0,6.8"
H,67,2.18,dt,"7.0,6.8"
H,68,6.44,t,7.0
H,69,2.05,t,7.0
H,70,2.05,t,7.0
H,71,2.18,q,7.0
H,72,2.18,q,7.0
H,73,5.4,dt,"15.0,7.0"
H,74,5.33,dt,"15.0,7.0"
H,75,2.03,dt,"7.0,6.8"
H,76,2.03,dt,"7.0,6.8"
H,77,1.54,tt,"6.8,6.6"
H,78,1.54,tt,"6.8,6.6"
H,79,1.39,m,6.6
H,80,1.39,m,6.6
H,81,1.54,td,"6.6,5.7"
H,82,1.54,td,"6.6,5.7"
H,83,4.61,td,"5.7,0.9"
H,84,3.82,dd,"10.0,6.4"
H,85,3.82,dd,"8.0,6.4"
H,86,2.7,ddd,"10.0,8.0,4.5"
H,87,,,
H,88,,,
H,89,4.06,dd,"4.5,0.9"
H,90,,,
