C,1,109.93,s,
C,2,147.23,s,
C,3,29.1,s,
C,4,39.5,s,
C,5,44.99,s,
C,6,180.04,s,
O,7,,,
O,8,,,
C,9,23.31,s,
C,10,28.0,s,
C,11,41.13,s,
C,12,24.66,s,
C,13,143.73,s,
C,14,122.35,s,
C,15,23.54,s,
C,16,48.16,s,
C,17,36.43,s,
C,18,15.68,s,
C,19,39.02,s,
C,20,26.92,s,
C,21,90.23,s,
O,22,,,
C,23,107.0,s,
O,24,,,
C,25,75.96,s,
C,26,174.81,s,
O,27,,,
O,28,,,
C,29,72.75,s,
O,30,,,
C,31,77.91,s,
O,32,,,
C,33,75.3,s,
O,34,,,
C,35,40.02,s,
C,36,22.28,s,
C,37,22.28,s,
C,38,55.81,s,
C,39,17.99,s,
C,40,32.9,s,
C,41,40.5,s,
C,42,16.58,s,
C,43,47.74,s,
C,44,33.14,s,
H,45,4.99,s,
H,46,4.99,s,
H,47,2.37,ddd,"15.4,13.6,3.1"
H,48,2.37,ddd,"15.4,4.2,3.3"
H,49,1.72,ddd,"13.6,12.4,3.3"
H,50,1.72,ddd,"12.4,4.2,3.1"
H,51,,,
H,52,1.89,ddd,"12.4,12.0,6.0"
H,53,1.89,ddd,"12.4,6.6,2.8"
H,54,1.65,ddd,"12.4,12.0,6.6"
H,55,1.65,ddd,"12.4,6.0,2.8"
H,56,1.31,s,
H,57,1.31,s,
H,58,1.31,s,
H,59,5.48,dd,"4.0,3.7"
H,60,1.93,ddd,"15.4,7.4,3.7"
H,61,1.93,ddd,"15.4,11.3,4.0"
H,62,1.82,dd,"11.3,7.4"
H,63,0.88,s,
H,64,0.88,s,
H,65,0.88,s,
H,66,1.97,ddd,"12.4,3.2,2.5"
H,67,1.97,ddd,"13.1,12.4,5.6"
H,68,1.97,m,
H,69,1.97,m,
H,70,3.36,dd,"12.2,6.3"
H,71,4.38,d,8.8
H,72,3.88,d,1.3
H,73,,,
H,74,3.49,dd,"2.3,1.3"
H,75,,,
H,76,3.5,dd,"2.9,2.3"
H,77,,,
H,78,3.64,dd,"8.8,2.9"
H,79,,,
H,80,1.1,s,
H,81,1.1,s,
H,82,1.1,s,
H,83,1.1,s,
H,84,1.1,s,
H,85,1.1,s,
H,86,0.74,dd,"12.9,3.4"
H,87,1.46,m,
H,88,1.46,m,
H,89,1.49,ddd,"12.4,8.4,1.5"
H,90,1.49,ddd,"12.4,10.2,8.8"
H,91,1.08,s,
H,92,1.08,s,
H,93,1.08,s,
H,94,2.94,dd,"14.3,3.6"
H,95,2.44,dd,"15.4,14.3"
H,96,2.44,dd,"15.4,3.6"
