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,16,61.05,s,
C,17,52.3,s,
C,18,32.9,s,
C,19,26.3,s,
C,20,60.23,s,
C,21,94.36,s,
O,22,,,
C,23,94.36,s,
C,24,52.3,s,
C,25,61.05,s,
N,26,,,
C,27,149.2,s,
C,28,111.2,s,
C,29,128.4,s,
C,30,123.27,s,
C,31,122.47,s,
C,32,132.82,s,
C,33,52.77,s,
C,34,42.03,s,
C,35,51.09,s,
N,36,,,
C,37,52.94,s,
C,38,142.04,s,
C,39,120.71,s,
C,40,12.85,s,
C,41,32.9,s,
C,42,26.3,s,
C,43,60.23,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,ddd,"9.6,9.4,1.0"
H,51,3.01,ddd,"10.5,9.4,8.7"
H,52,1.85,ddd,"12.4,8.7,1.0"
H,53,1.85,ddd,"12.4,10.5,9.6"
H,54,7.11,ddd,"7.3,1.4,0.5"
H,55,7.04,ddd,"8.0,7.3,1.4"
H,56,7.43,ddd,"8.0,6.9,1.4"
H,57,7.32,ddd,"6.9,1.4,0.5"
H,58,3.54,d,6.8
H,59,2.83,ddd,"8.7,6.8,3.6"
H,60,2.99,ddd,"3.6,3.5,3.3"
H,61,1.88,ddd,"12.4,3.3,3.2"
H,62,1.88,ddd,"12.4,3.5,3.0"
H,63,3.91,dd,"3.2,3.0"
H,64,6.04,d,8.7
H,65,6.04,d,8.8
H,66,2.83,ddd,"8.8,6.6,3.7"
H,67,3.54,d,6.6
H,68,7.32,ddd,"7.3,1.4,0.5"
H,69,7.43,ddd,"7.3,7.0,1.4"
H,70,7.04,ddd,"8.2,7.0,1.4"
H,71,7.11,ddd,"8.2,1.4,0.5"
H,72,1.85,ddd,"12.4,9.6,1.5"
H,73,1.85,ddd,"12.4,10.3,10.2"
H,74,3.01,ddd,"10.3,9.4,1.5"
H,75,3.01,ddd,"10.2,9.6,9.4"
H,76,3.31,s,
H,77,3.31,s,
H,78,5.45,q,7.0
H,79,1.65,d,7.0
H,80,1.65,d,7.0
H,81,1.65,d,7.0
H,82,2.99,ddd,"3.7,3.4,2.9"
H,83,1.88,ddd,"12.4,2.9,2.5"
H,84,1.88,ddd,"12.4,3.4,3.2"
H,85,3.91,dd,"3.2,2.5"
