C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,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,18,94.36,s,
C,19,52.3,s,
C,20,32.9,s,
C,21,26.3,s,
C,22,60.23,s,
C,23,61.05,s,
N,24,,,
C,25,149.2,s,
C,26,111.2,s,
C,27,128.4,s,
C,28,123.27,s,
C,29,122.47,s,
C,30,132.82,s,
C,31,52.77,s,
C,32,42.03,s,
C,33,51.09,s,
N,34,,,
C,35,52.94,s,
C,36,142.04,s,
C,37,120.71,s,
C,38,12.85,s,
C,39,32.9,s,
C,40,26.3,s,
C,41,60.23,s,
C,42,52.3,s,
C,43,61.05,s,
H,44,1.65,d,7.0
H,45,1.65,d,7.0
H,46,1.65,d,7.0
H,47,5.45,q,7.0
H,48,3.31,s,
H,49,3.31,s,
H,50,3.01,td,"9.4,0.7"
H,51,3.01,ddd,"17.3,9.4,8.7"
H,52,1.85,ddd,"17.3,12.4,9.4"
H,53,1.85,ddd,"12.4,8.7,0.7"
H,54,7.11,ddd,"10.4,1.4,0.5"
H,55,7.04,ddd,"10.4,7.5,1.4"
H,56,7.43,td,"7.5,1.4"
H,57,7.32,ddd,"7.5,1.4,0.5"
H,58,6.04,d,7.6
H,59,6.04,d,13.8
H,60,2.83,ddd,"19.0,13.8,11.5"
H,61,2.99,ddd,"19.0,11.0,3.5"
H,62,1.88,ddd,"12.4,11.9,11.0"
H,63,1.88,ddd,"19.4,12.4,3.5"
H,64,3.91,dd,"19.4,11.9"
H,65,3.54,d,11.5
H,66,7.32,ddd,"7.5,1.4,0.5"
H,67,7.43,td,"7.5,1.4"
H,68,7.04,ddd,"10.4,7.5,1.4"
H,69,7.11,ddd,"10.4,1.4,0.5"
H,70,1.85,ddd,"17.3,12.4,9.4"
H,71,1.85,ddd,"12.4,8.7,0.7"
H,72,3.01,td,"9.4,0.7"
H,73,3.01,ddd,"17.3,9.4,8.7"
H,74,3.31,s,
H,75,3.31,s,
H,76,5.45,q,7.0
H,77,1.65,d,7.0
H,78,1.65,d,7.0
H,79,1.65,d,7.0
H,80,2.99,ddd,"19.0,11.0,6.3"
H,81,1.88,ddd,"16.5,12.4,6.3"
H,82,1.88,ddd,"12.4,11.8,11.0"
H,83,3.91,dd,"16.5,11.8"
H,84,2.83,ddd,"19.0,11.5,7.6"
H,85,3.54,d,11.5
