C,1,56.49,s,
O,2,,,
C,3,74.63,s,
C,4,39.42,s,
C,5,141.4,s,
C,6,22.6,s,
C,7,123.6,s,
C,8,98.3,s,
C,9,95.8,s,
C,10,128.5,s,
C,11,20.0,s,
C,12,140.1,s,
C,13,128.43,s,
C,14,139.93,s,
C,15,137.13,s,
C,16,12.82,s,
C,17,134.44,s,
C,18,130.98,s,
C,19,130.98,s,
C,20,134.44,s,
C,21,137.13,s,
C,22,12.82,s,
C,23,139.93,s,
C,24,128.43,s,
C,25,140.1,s,
C,26,128.5,s,
C,27,20.0,s,
C,28,95.8,s,
C,29,98.3,s,
C,30,123.6,s,
C,31,141.4,s,
C,32,22.6,s,
C,33,39.42,s,
C,34,74.63,s,
O,35,,,
C,36,56.49,s,
C,37,42.03,s,
C,38,36.5,s,
C,39,30.0,s,
C,40,30.0,s,
C,41,36.5,s,
C,42,30.0,s,
C,43,30.0,s,
C,44,42.03,s,
H,45,3.22,s,
H,46,3.22,s,
H,47,3.22,s,
H,48,4.73,m,
H,49,2.67,dd,"15.4,7.2"
H,50,2.67,dd,"15.4,1.5"
H,51,1.88,s,
H,52,1.88,s,
H,53,1.88,s,
H,54,1.9,s,
H,55,1.9,s,
H,56,1.9,s,
H,57,6.61,d,11.0
H,58,6.8,dd,"17.0,11.0"
H,59,6.43,d,17.0
H,60,2.0,s,
H,61,2.0,s,
H,62,2.0,s,
H,63,6.31,d,11.0
H,64,6.68,d,11.0
H,65,6.68,d,11.0
H,66,6.31,d,11.0
H,67,2.0,s,
H,68,2.0,s,
H,69,2.0,s,
H,70,6.43,s,
H,71,6.8,d,11.0
H,72,6.61,d,11.0
H,73,1.9,s,
H,74,1.9,s,
H,75,1.9,s,
H,76,1.88,s,
H,77,1.88,s,
H,78,1.88,s,
H,79,2.67,dd,"15.4,9.1"
H,80,2.67,dd,"15.4,2.1"
H,81,4.73,ddt,"9.1,6.1,2.1"
H,82,3.22,s,
H,83,3.22,s,
H,84,3.22,s,
H,85,1.99,dd,"12.4,2.1"
H,86,1.99,dd,"12.4,6.1"
H,87,1.13,s,
H,88,1.13,s,
H,89,1.13,s,
H,90,1.13,s,
H,91,1.13,s,
H,92,1.13,s,
H,93,1.13,s,
H,94,1.13,s,
H,95,1.13,s,
H,96,1.13,s,
H,97,1.13,s,
H,98,1.13,s,
H,99,1.99,dd,"12.4,4.2"
H,100,1.99,dd,"12.4,2.7"
