C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,52.94,s,
N,5,,,
C,6,51.09,s,
C,7,42.03,s,
C,8,52.77,s,
C,9,132.82,s,
C,10,122.47,s,
C,11,123.27,s,
C,12,128.4,s,
C,13,111.2,s,
C,14,149.2,s,
N,15,,,
C,16,94.36,s,
O,17,,,
C,18,77.48,s,
C,19,48.53,s,
C,20,24.51,s,
C,21,60.23,s,
C,22,86.56,s,
O,23,,,
C,24,55.11,s,
N,25,,,
C,26,149.2,s,
C,27,111.2,s,
C,28,128.4,s,
C,29,123.27,s,
C,30,122.47,s,
C,31,132.82,s,
C,32,52.77,s,
C,33,42.03,s,
C,34,51.09,s,
N,35,,,
C,36,52.94,s,
C,37,142.04,s,
C,38,120.71,s,
C,39,12.85,s,
C,40,32.9,s,
C,41,26.3,s,
C,42,60.23,s,
C,43,52.3,s,
C,44,61.05,s,
C,45,75.57,s,
H,46,1.67,d,7.0
H,47,1.67,d,7.0
H,48,1.67,d,7.0
H,49,5.45,q,7.0
H,50,3.31,s,
H,51,3.31,s,
H,52,3.01,ddd,"17.3,9.4,8.7"
H,53,3.01,td,"9.4,0.7"
H,54,1.85,ddd,"12.4,8.7,0.7"
H,55,1.85,ddd,"17.3,12.4,9.4"
H,56,7.11,ddd,"10.4,1.4,0.5"
H,57,7.04,ddd,"10.4,7.5,1.4"
H,58,7.43,td,"7.5,1.4"
H,59,7.32,ddd,"7.5,1.4,0.5"
H,60,6.04,d,17.6
H,61,3.2,dd,"11.2,7.3"
H,62,2.11,ddd,"16.6,12.4,7.3"
H,63,2.11,ddd,"12.7,12.4,11.2"
H,64,3.91,dd,"16.6,12.7"
H,65,5.95,s,
H,66,3.25,s,
H,67,3.25,s,
H,68,3.25,s,
H,69,7.32,ddd,"7.5,1.4,0.5"
H,70,7.43,td,"7.5,1.4"
H,71,7.04,ddd,"10.4,7.5,1.4"
H,72,7.11,ddd,"10.4,1.4,0.5"
H,73,1.85,ddd,"17.3,12.4,9.4"
H,74,1.85,ddd,"12.4,10.8,2.9"
H,75,3.01,td,"9.4,2.9"
H,76,3.01,ddd,"17.3,10.8,9.4"
H,77,3.31,s,
H,78,3.31,s,
H,79,5.45,q,7.0
H,80,1.65,d,7.0
H,81,1.65,d,7.0
H,82,1.65,d,7.0
H,83,2.99,ddd,"15.3,11.7,7.1"
H,84,1.88,ddd,"16.5,12.4,7.1"
H,85,1.88,ddd,"12.4,11.8,11.7"
H,86,3.91,dd,"16.5,11.8"
H,87,2.83,ddd,"17.6,15.3,1.8"
H,88,3.54,d,1.8
H,89,3.41,s,
