C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,52.94,s,
N,5,,,
C,6,52.0,s,
C,7,42.2,s,
C,8,55.7,s,
C,9,135.1,s,
C,10,121.9,s,
C,11,120.7,s,
C,12,128.4,s,
C,13,111.2,s,
C,14,149.2,s,
N,15,,,
C,16,94.36,s,
C,17,52.3,s,
C,18,61.05,s,
N,19,,,
C,20,170.38,s,
C,21,23.42,s,
O,22,,,
C,23,141.81,s,
C,24,116.16,s,
C,25,128.25,s,
C,26,123.94,s,
C,27,122.57,s,
C,28,132.67,s,
C,29,52.77,s,
C,30,42.57,s,
C,31,50.96,s,
N,32,,,
C,33,52.94,s,
C,34,142.04,s,
C,35,120.71,s,
C,36,12.85,s,
C,37,32.9,s,
C,38,26.3,s,
C,39,60.23,s,
O,40,,,
C,41,153.07,s,
C,42,132.07,s,
C,43,38.9,s,
C,44,26.8,s,
C,45,60.23,s,
C,46,61.0,s,
H,47,1.67,d,7.0
H,48,1.67,d,7.0
H,49,1.67,d,7.0
H,50,5.45,q,7.0
H,51,3.31,s,
H,52,3.31,s,
H,53,3.01,td,"9.4,8.5"
H,54,3.01,td,"9.4,1.0"
H,55,2.18,ddd,"12.4,9.4,8.5"
H,56,2.18,ddd,"12.4,9.4,1.0"
H,57,7.25,ddd,"6.9,1.4,0.5"
H,58,6.94,ddd,"7.8,6.9,1.4"
H,59,7.43,ddd,"7.8,7.7,1.4"
H,60,7.32,ddd,"7.7,1.4,0.5"
H,61,6.04,d,4.9
H,62,2.83,ddd,"11.3,4.9,4.5"
H,63,3.54,d,11.3
H,64,2.28,s,
H,65,2.28,s,
H,66,2.28,s,
H,67,8.04,ddd,"9.2,1.4,0.5"
H,68,7.2,ddd,"9.2,6.3,1.4"
H,69,7.04,ddd,"9.7,6.3,1.4"
H,70,7.11,ddd,"9.7,1.4,0.5"
H,71,1.85,ddd,"12.4,10.8,4.4"
H,72,1.85,ddd,"12.4,11.4,5.5"
H,73,3.01,ddd,"11.4,9.4,4.4"
H,74,3.01,ddd,"10.8,9.4,5.5"
H,75,3.31,s,
H,76,3.31,s,
H,77,5.45,q,7.0
H,78,1.65,d,7.0
H,79,1.65,d,7.0
H,80,1.65,d,7.0
H,81,2.99,ddd,"5.5,4.5,3.5"
H,82,1.88,ddd,"12.4,3.5,1.4"
H,83,1.88,ddd,"12.4,5.5,3.5"
H,84,3.91,dd,"3.5,1.4"
H,85,7.79,s,
H,86,2.83,dd,"4.4,2.1"
H,87,1.85,ddd,"12.4,3.3,2.1"
H,88,1.85,ddd,"12.4,4.4,2.9"
H,89,3.91,dd,"3.3,2.9"
H,90,4.25,s,
