C,1,20.7,s,
C,2,170.2,s,
O,3,,,
O,4,,,
C,5,75.6,s,
C,6,41.1,s,
C,7,83.6,s,
O,8,,,
C,9,41.8,s,
C,10,21.1,s,
C,11,26.9,s,
C,12,36.7,s,
C,13,33.71,s,
C,14,77.3,s,
O,15,,,
C,16,102.9,s,
O,17,,,
C,18,64.08,s,
C,19,77.97,s,
O,20,,,
C,21,97.88,s,
C,22,41.4,s,
C,23,72.3,s,
O,24,,,
C,25,78.6,s,
O,26,,,
C,27,73.85,s,
C,28,19.0,s,
O,29,,,
C,30,76.9,s,
O,31,,,
C,32,73.67,s,
O,33,,,
C,34,29.13,s,
C,35,30.5,s,
C,36,35.4,s,
C,37,23.8,s,
C,38,35.7,s,
C,39,21.6,s,
C,40,39.1,s,
C,41,50.4,s,
C,42,16.2,s,
C,43,75.3,s,
C,44,169.8,s,
C,45,121.5,s,
C,46,174.2,s,
O,47,,,
O,48,,,
C,49,76.2,s,
H,50,2.02,s,
H,51,2.02,s,
H,52,2.02,s,
H,53,5.68,ddd,"8.4,8.1,7.8"
H,54,2.81,dd,"12.4,8.4"
H,55,2.81,dd,"12.4,8.1"
H,56,,,
H,57,2.13,ddd,"10.8,4.3,2.2"
H,58,1.48,m,
H,59,1.48,m,
H,60,1.48,m,
H,61,1.48,m,
H,62,1.09,m,
H,63,1.51,ddd,"12.4,4.3,3.6"
H,64,1.51,ddd,"12.4,11.9,2.0"
H,65,3.9,m,
H,66,4.9,d,8.4
H,67,4.08,dd,"10.5,9.4"
H,68,4.08,dd,"9.4,4.2"
H,69,4.24,ddd,"10.5,7.8,4.2"
H,70,5.19,dd,"10.0,1.6"
H,71,2.4,ddd,"12.4,2.4,1.6"
H,72,2.4,ddd,"12.4,10.0,2.5"
H,73,4.17,ddd,"5.7,2.5,2.4"
H,74,,,
H,75,3.77,dd,"7.0,5.7"
H,76,,,
H,77,3.86,dq,"7.0,6.1"
H,78,1.32,d,6.1
H,79,1.32,d,6.1
H,80,1.32,d,6.1
H,81,3.56,dd,"8.3,7.8"
H,82,,,
H,83,4.11,dd,"8.4,8.3"
H,84,,,
H,85,1.74,m,
H,86,1.74,m,
H,87,1.37,ddd,"12.4,3.3,2.7"
H,88,1.37,ddd,"12.8,12.4,7.2"
H,89,0.88,s,
H,90,0.88,s,
H,91,0.88,s,
H,92,1.61,ddd,"11.0,4.3,1.8"
H,93,1.47,m,
H,94,1.47,m,
H,95,1.48,ddd,"12.4,4.8,3.5"
H,96,1.48,ddd,"13.6,12.4,6.0"
H,97,1.07,s,
H,98,1.07,s,
H,99,1.07,s,
H,100,3.38,d,7.8
H,101,6.28,s,
H,102,5.32,s,
H,103,5.32,s,
