C,1,12.99,s,
C,2,41.44,s,
C,3,178.29,s,
O,4,,,
O,5,,,
C,6,77.38,s,
C,7,18.29,s,
C,8,45.42,s,
C,9,43.37,s,
C,10,,,
O,11,,,
C,12,77.1,s,
C,13,26.44,s,
O,14,,,
C,15,52.87,s,
C,16,20.59,s,
C,17,31.5,s,
C,18,84.4,s,
O,19,,,
C,20,164.4,s,
C,21,120.4,s,
C,22,,,
O,23,,,
C,24,52.7,s,
C,25,29.67,s,
C,26,70.48,s,
O,27,,,
C,28,76.51,s,
O,29,,,
C,30,104.46,s,
O,31,,,
C,32,77.66,s,
C,33,62.49,s,
O,34,,,
C,35,71.65,s,
O,36,,,
C,37,77.38,s,
O,38,,,
C,39,73.99,s,
O,40,,,
C,41,42.83,s,
C,42,38.86,s,
C,43,21.19,s,
C,44,34.0,s,
C,45,20.37,s,
C,46,35.28,s,
C,47,49.1,s,
C,48,18.5,s,
H,49,1.27,d,6.7
H,50,1.27,d,6.7
H,51,1.27,d,6.7
H,52,2.53,qd,"6.7,4.3"
H,53,4.58,qd,"6.2,1.2"
H,54,1.21,d,6.2
H,55,1.21,d,6.2
H,56,1.21,d,6.2
H,57,2.29,tdd,"6.3,4.3,1.2"
H,58,2.74,d,6.3
H,59,2.74,d,6.3
H,60,1.68,s,
H,61,1.68,s,
H,62,1.68,s,
H,63,,,
H,64,3.26,dd,"11.2,5.9"
H,65,2.51,m,
H,66,2.51,m,
H,67,2.13,ddd,"12.4,9.9,1.7"
H,68,2.13,ddd,"12.4,10.0,9.1"
H,69,,,
H,70,6.07,s,
H,71,3.02,dd,"11.7,7.0"
H,72,1.89,ddd,"12.4,7.0,3.8"
H,73,1.89,ddd,"12.4,11.7,1.6"
H,74,4.17,ddd,"3.8,1.6,0.8"
H,75,,,
H,76,4.61,ddd,"11.6,3.1,0.8"
H,77,5.28,d,2.1
H,78,3.63,dt,"9.5,5.4"
H,79,4.04,d,5.4
H,80,4.04,d,5.4
H,81,,,
H,82,3.82,dd,"9.5,8.9"
H,83,,,
H,84,3.85,dd,"8.9,5.4"
H,85,,,
H,86,3.42,dd,"5.4,2.1"
H,87,,,
H,88,2.1,dd,"12.4,11.6"
H,89,2.1,dd,"12.4,3.1"
H,90,1.0,s,
H,91,1.0,s,
H,92,1.0,s,
H,93,3.15,dd,"13.0,6.0"
H,94,1.96,m,
H,95,1.96,m,
H,96,2.48,ddd,"12.4,5.8,2.4"
H,97,2.48,ddd,"12.7,12.4,7.1"
H,98,1.06,s,
H,99,1.06,s,
H,100,1.06,s,
