C,1,18.7,s,
C,2,69.1,s,
O,3,,,
C,4,96.5,s,
O,5,,,
C,6,73.2,s,
C,7,26.9,s,
C,8,30.4,s,
C,9,35.4,s,
C,10,23.8,s,
C,11,36.9,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,17,35.44,s,
C,18,43.82,s,
C,19,18.07,s,
C,20,40.4,s,
C,21,159.45,s,
C,22,106.82,s,
C,23,34.1,s,
C,24,176.86,s,
O,25,,,
O,26,,,
C,27,71.11,s,
O,28,,,
C,29,41.4,s,
C,30,84.1,s,
O,31,,,
C,32,30.7,s,
C,33,38.96,s,
C,34,67.7,s,
O,35,,,
C,36,83.6,s,
O,37,,,
C,38,106.0,s,
O,39,,,
C,40,78.3,s,
C,41,62.49,s,
O,42,,,
C,43,71.65,s,
O,44,,,
C,45,78.4,s,
O,46,,,
C,47,75.1,s,
O,48,,,
H,49,1.32,d,6.1
H,50,1.32,d,6.1
H,51,1.32,d,6.1
H,52,3.39,qd,"6.1,3.5"
H,53,5.19,dd,"8.1,7.8"
H,54,3.9,m,
H,55,1.74,m,
H,56,1.74,m,
H,57,1.37,ddd,"12.9,12.4,6.0"
H,58,1.37,ddd,"12.4,5.0,3.2"
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,"10.9,8.7,3.2"
H,68,1.61,ddd,"12.0,8.9,8.7"
H,69,1.47,m,
H,70,1.47,m,
H,71,1.48,ddd,"13.0,12.4,2.1"
H,72,1.48,ddd,"12.4,7.3,2.0"
H,73,1.05,s,
H,74,1.05,s,
H,75,1.05,s,
H,76,2.83,d,4.1
H,77,5.99,dd,"3.7,3.5"
H,78,3.06,dd,"23.4,3.7"
H,79,3.06,dd,"23.4,3.5"
H,80,4.19,ddd,"5.6,4.1,1.7"
H,81,,,
H,82,2.27,dd,"12.4,5.6"
H,83,2.27,dd,"12.4,1.7"
H,84,,,
H,85,1.51,ddd,"12.4,11.1,8.2"
H,86,1.51,ddd,"12.4,8.7,1.6"
H,87,1.88,ddd,"12.4,8.1,5.1"
H,88,1.88,ddd,"12.4,7.8,1.8"
H,89,3.63,ddd,"5.1,3.6,1.8"
H,90,,,
H,91,3.04,dd,"3.6,3.5"
H,92,4.73,d,6.4
H,93,3.63,dt,"6.7,5.4"
H,94,4.04,d,5.4
H,95,4.04,d,5.4
H,96,,,
H,97,3.82,dd,"9.2,6.7"
H,98,,,
H,99,3.85,dd,"9.2,5.8"
H,100,,,
H,101,3.23,dd,"6.4,5.8"
H,102,,,
