C,1,17.8,s,
C,2,70.23,s,
O,3,,,
C,4,99.8,s,
O,5,,,
C,6,77.7,s,
C,7,27.0,s,
C,8,30.5,s,
C,9,35.4,s,
C,10,23.8,s,
C,11,35.7,s,
C,12,21.02,s,
C,13,41.2,s,
C,14,50.9,s,
C,15,16.3,s,
C,16,52.1,s,
C,17,178.4,s,
C,18,117.8,s,
C,19,176.32,s,
O,20,,,
O,21,,,
C,22,75.4,s,
C,23,27.9,s,
C,24,33.4,s,
C,25,86.3,s,
O,26,,,
C,27,41.33,s,
C,28,24.85,s,
C,29,26.9,s,
C,30,36.7,s,
C,31,30.3,s,
C,32,74.46,s,
O,33,,,
C,34,74.02,s,
O,35,,,
C,36,83.13,s,
O,37,,,
C,38,104.13,s,
O,39,,,
C,40,77.24,s,
C,41,62.49,s,
O,42,,,
C,43,71.65,s,
O,44,,,
C,45,76.07,s,
O,46,,,
C,47,74.09,s,
O,48,,,
H,49,1.49,d,6.1
H,50,1.49,d,6.1
H,51,1.49,d,6.1
H,52,4.2,qd,"6.1,2.2"
H,53,5.09,d,3.0
H,54,3.98,m,
H,55,1.74,m,
H,56,1.74,m,
H,57,1.37,ddd,"13.7,12.4,3.2"
H,58,1.37,ddd,"12.4,4.2,2.4"
H,59,0.88,s,
H,60,0.88,s,
H,61,0.88,s,
H,62,1.61,ddd,"9.7,8.7,8.6"
H,63,1.47,m,
H,64,1.47,m,
H,65,1.48,ddd,"12.4,10.9,7.5"
H,66,1.48,ddd,"12.4,8.3,1.8"
H,67,1.01,s,
H,68,1.01,s,
H,69,1.01,s,
H,70,2.79,dd,"10.9,6.8"
H,71,5.95,s,
H,72,5.07,s,
H,73,5.07,s,
H,74,2.06,m,
H,75,2.06,m,
H,76,2.13,ddd,"12.4,9.4,0.6"
H,77,2.13,ddd,"12.4,10.5,9.3"
H,78,,,
H,79,2.13,ddd,"13.1,9.7,6.0"
H,80,1.48,m,
H,81,1.48,m,
H,82,1.48,m,
H,83,1.48,m,
H,84,1.09,m,
H,85,1.51,ddd,"12.4,10.6,9.4"
H,86,1.51,ddd,"12.4,5.2,1.4"
H,87,4.25,dd,"9.3,3.0"
H,88,,,
H,89,4.38,dd,"9.3,4.5"
H,90,,,
H,91,4.1,dd,"4.5,2.2"
H,92,4.89,d,5.0
H,93,3.63,dt,"5.8,5.4"
H,94,4.04,d,5.4
H,95,4.04,d,5.4
H,96,,,
H,97,3.82,dd,"5.8,1.6"
H,98,,,
H,99,3.85,dd,"1.6,1.4"
H,100,,,
H,101,3.84,dd,"5.0,1.4"
H,102,,,
