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,11,36.7,s,
C,12,26.9,s,
C,13,24.85,s,
C,14,41.33,s,
C,15,35.7,s,
C,16,21.02,s,
C,17,41.2,s,
C,18,50.9,s,
C,19,16.3,s,
C,20,52.1,s,
C,21,178.4,s,
C,22,117.8,s,
C,23,176.32,s,
O,24,,,
O,25,,,
C,26,75.4,s,
C,27,27.9,s,
C,28,33.4,s,
C,29,86.3,s,
O,30,,,
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,dq,"9.3,6.1"
H,53,5.09,d,1.1
H,54,3.98,m,
H,55,1.74,m,
H,56,1.74,m,
H,57,1.37,ddd,"13.7,12.4,6.0"
H,58,1.37,ddd,"12.4,5.8,2.7"
H,59,0.88,s,
H,60,0.88,s,
H,61,0.88,s,
H,62,1.09,m,
H,63,1.48,m,
H,64,1.48,m,
H,65,1.48,m,
H,66,1.48,m,
H,67,2.13,ddd,"12.9,10.1,4.4"
H,68,1.61,ddd,"11.9,10.1,6.2"
H,69,1.47,m,
H,70,1.47,m,
H,71,1.48,ddd,"12.4,3.6,3.3"
H,72,1.48,ddd,"13.4,12.4,4.4"
H,73,1.01,s,
H,74,1.01,s,
H,75,1.01,s,
H,76,2.79,dd,"11.2,9.3"
H,77,5.95,s,
H,78,5.07,s,
H,79,5.07,s,
H,80,2.06,dtd,"12.4,11.2,2.0"
H,81,2.06,m,
H,82,2.13,ddd,"12.4,11.2,2.0"
H,83,2.13,ddd,"12.4,11.2,8.6"
H,84,,,
H,85,1.51,ddd,"12.4,12.0,11.8"
H,86,1.51,ddd,"12.4,4.9,3.7"
H,87,4.25,dd,"3.4,1.1"
H,88,,,
H,89,4.38,dd,"4.3,3.4"
H,90,,,
H,91,4.1,dd,"9.3,4.3"
H,92,4.89,d,3.2
H,93,3.63,dt,"9.1,5.4"
H,94,4.04,d,5.4
H,95,4.04,d,5.4
H,96,,,
H,97,3.82,dd,"9.1,8.0"
H,98,,,
H,99,3.85,dd,"8.0,5.0"
H,100,,,
H,101,3.84,dd,"5.0,3.2"
H,102,,,
