C,1,28.48,s,
C,2,30.74,s,
C,3,28.48,s,
C,4,33.17,s,
C,5,30.16,s,
C,6,45.1,s,
C,7,61.77,s,
O,8,,,
C,9,29.4,s,
C,10,27.77,s,
C,11,42.15,s,
C,12,24.21,s,
C,13,143.92,s,
C,14,122.52,s,
C,15,22.9,s,
C,16,46.4,s,
C,17,37.67,s,
C,18,16.8,s,
C,19,42.83,s,
C,20,68.6,s,
O,21,,,
C,22,77.86,s,
O,23,,,
C,24,48.79,s,
C,25,21.15,s,
C,26,174.33,s,
O,27,,,
O,28,,,
C,29,102.46,s,
O,30,,,
C,31,66.08,s,
C,32,69.84,s,
O,33,,,
C,34,75.17,s,
O,35,,,
C,36,73.89,s,
O,37,,,
C,38,51.51,s,
C,39,66.61,s,
O,40,,,
C,41,43.26,s,
C,42,38.0,s,
C,43,17.3,s,
C,44,47.74,s,
C,45,45.65,s,
H,46,0.94,s,
H,47,0.94,s,
H,48,0.94,s,
H,49,0.94,s,
H,50,0.94,s,
H,51,0.94,s,
H,52,1.63,ddd,"12.4,7.2,2.8"
H,53,1.63,ddd,"12.4,12.1,4.9"
H,54,1.72,ddd,"12.4,4.9,2.8"
H,55,1.72,ddd,"12.4,12.1,7.2"
H,56,3.84,s,
H,57,3.84,s,
H,58,,,
H,59,2.0,ddd,"12.4,8.3,2.0"
H,60,2.0,ddd,"12.4,10.5,9.0"
H,61,1.61,ddd,"12.4,10.5,8.3"
H,62,1.61,ddd,"12.4,9.0,2.0"
H,63,1.31,s,
H,64,1.31,s,
H,65,1.31,s,
H,66,5.43,dd,"5.0,2.9"
H,67,1.93,ddd,"15.4,8.0,5.0"
H,68,1.93,ddd,"15.4,10.4,2.9"
H,69,1.76,dd,"10.4,8.0"
H,70,1.15,s,
H,71,1.15,s,
H,72,1.15,s,
H,73,2.19,dd,"12.4,2.2"
H,74,2.19,dd,"12.4,5.7"
H,75,4.3,ddd,"7.0,5.7,2.2"
H,76,,,
H,77,4.13,d,7.0
H,78,,,
H,79,1.54,s,
H,80,1.54,s,
H,81,1.54,s,
H,82,5.18,d,8.3
H,83,4.15,dd,"9.4,6.0"
H,84,4.15,dd,"10.3,9.4"
H,85,4.09,ddd,"10.3,6.3,6.0"
H,86,,,
H,87,4.04,dd,"6.3,6.2"
H,88,,,
H,89,3.81,dd,"8.3,6.2"
H,90,,,
H,91,2.9,d,2.5
H,92,4.65,ddd,"6.5,2.5,2.1"
H,93,,,
H,94,1.76,dd,"12.4,6.5"
H,95,1.76,dd,"12.4,2.1"
H,96,1.09,s,
H,97,1.09,s,
H,98,1.09,s,
H,99,2.94,dd,"6.1,3.6"
H,100,2.22,dd,"12.4,3.6"
H,101,2.22,dd,"12.4,6.1"
