C,1,16.48,s,
C,2,162.36,s,
O,3,,,
N,4,,,
C,5,57.53,s,
C,6,36.24,s,
C,7,59.8,s,
C,8,83.85,s,
C,9,24.3,s,
C,10,24.3,s,
O,11,,,
C,12,81.35,s,
C,13,35.5,s,
C,14,175.05,s,
O,15,,,
O,16,,,
C,17,95.95,s,
C,18,30.5,s,
C,19,86.2,s,
C,20,35.22,s,
C,21,32.2,s,
C,22,48.09,s,
C,23,18.43,s,
C,24,,,
O,25,,,
C,26,77.1,s,
C,27,26.44,s,
O,28,,,
C,29,40.4,s,
C,30,50.05,s,
C,31,105.64,s,
O,32,,,
C,33,72.4,s,
C,34,79.25,s,
O,35,,,
C,36,177.6,s,
O,37,,,
C,38,77.0,s,
C,39,17.7,s,
O,40,,,
O,41,,,
C,42,157.83,s,
O,43,,,
C,44,132.07,s,
H,45,2.13,s,
H,46,2.13,s,
H,47,2.13,s,
H,48,,,
H,49,4.28,dd,"5.0,4.9"
H,50,1.87,ddd,"12.4,4.9,1.5"
H,51,1.87,ddd,"12.4,9.6,5.0"
H,52,2.54,dd,"9.6,1.5"
H,53,1.15,s,
H,54,1.15,s,
H,55,1.15,s,
H,56,1.15,s,
H,57,1.15,s,
H,58,1.15,s,
H,59,4.29,dd,"7.3,1.0"
H,60,2.97,dd,"18.4,1.0"
H,61,2.97,dd,"18.4,7.3"
H,62,2.51,s,
H,63,2.51,s,
H,64,1.9,ddd,"12.4,9.0,1.2"
H,65,1.9,ddd,"13.5,12.4,1.7"
H,66,1.79,ddd,"12.4,9.0,1.7"
H,67,1.79,ddd,"13.5,12.4,1.2"
H,68,1.37,s,
H,69,1.37,s,
H,70,1.37,s,
H,71,1.68,s,
H,72,1.68,s,
H,73,1.68,s,
H,74,,,
H,75,2.43,dd,"9.2,1.1"
H,76,3.22,d,9.2
H,77,4.76,d,3.7
H,78,4.66,dd,"3.7,1.1"
H,79,1.4,s,
H,80,1.4,s,
H,81,1.4,s,
H,82,,,
H,83,,,
