C,1,28.65,s,
C,2,32.0,s,
C,3,28.65,s,
C,4,31.2,s,
C,5,24.84,s,
C,6,35.7,s,
C,7,83.54,s,
C,8,23.46,s,
O,9,,,
C,10,82.0,s,
C,11,28.7,s,
C,12,35.28,s,
C,13,43.99,s,
C,14,17.82,s,
C,15,50.54,s,
C,16,28.16,s,
C,17,35.28,s,
C,18,37.91,s,
C,19,16.96,s,
C,20,50.54,s,
C,21,21.4,s,
C,22,40.3,s,
C,23,48.4,s,
C,24,30.6,s,
C,25,131.53,s,
C,26,142.0,s,
O,27,,,
S,28,,,
O,29,,,
O,30,,,
O,31,,,
C,32,114.66,s,
C,33,114.66,s,
C,34,142.0,s,
O,35,,,
S,36,,,
O,37,,,
O,38,,,
O,39,,,
C,40,125.03,s,
C,41,25.93,s,
C,42,63.65,s,
C,43,49.58,s,
C,44,15.88,s,
C,45,35.28,s,
C,46,28.16,s,
C,47,52.87,s,
H,48,1.0,s,
H,49,1.0,s,
H,50,1.0,s,
H,51,1.0,s,
H,52,1.0,s,
H,53,1.0,s,
H,54,1.28,ddd,"12.4,10.3,1.7"
H,55,1.28,ddd,"12.4,10.8,6.1"
H,56,1.42,m,
H,57,1.42,m,
H,58,1.9,ddd,"12.4,11.4,1.6"
H,59,1.9,ddd,"12.4,11.2,5.7"
H,60,1.38,s,
H,61,1.38,s,
H,62,1.38,s,
H,63,4.77,dd,"11.0,7.7"
H,64,1.8,m,
H,65,1.8,m,
H,66,1.72,ddd,"13.7,12.4,6.0"
H,67,1.72,ddd,"12.4,4.9,2.3"
H,68,1.02,s,
H,69,1.02,s,
H,70,1.02,s,
H,71,1.61,ddd,"11.6,10.6,9.5"
H,72,1.58,m,
H,73,1.58,m,
H,74,1.72,ddd,"12.4,9.8,9.4"
H,75,1.72,ddd,"12.4,11.1,2.1"
H,76,0.94,s,
H,77,0.94,s,
H,78,0.94,s,
H,79,1.61,ddd,"11.6,10.6,1.2"
H,80,1.47,m,
H,81,1.47,m,
H,82,1.72,ddd,"12.4,7.0,1.9"
H,83,1.72,ddd,"13.3,12.4,2.3"
H,84,1.33,s,
H,85,1.33,s,
H,86,1.33,s,
H,87,,,
H,88,6.91,s,
H,89,6.91,s,
H,90,,,
H,91,3.01,dd,"12.4,8.4"
H,92,3.01,dd,"12.4,11.0"
H,93,2.11,dd,"11.0,8.4"
H,94,0.88,s,
H,95,0.88,s,
H,96,0.88,s,
H,97,1.72,ddd,"13.6,12.4,4.6"
H,98,1.72,ddd,"12.4,6.6,4.5"
H,99,1.58,m,
H,100,1.58,m,
H,101,2.29,dd,"11.0,3.9"
