C,1,20.71,s,
C,2,170.51,s,
O,3,,,
O,4,,,
C,5,71.31,s,
C,6,79.73,s,
C,7,22.15,s,
C,8,35.22,s,
C,9,33.56,s,
C,10,108.09,s,
O,11,,,
C,12,81.33,s,
C,13,32.7,s,
C,14,56.0,s,
C,15,36.28,s,
C,16,41.0,s,
C,17,74.87,s,
O,18,,,
C,19,170.21,s,
C,20,21.23,s,
O,21,,,
C,22,49.79,s,
C,23,35.12,s,
C,24,76.51,s,
O,25,,,
C,26,170.72,s,
C,27,21.03,s,
O,28,,,
C,29,76.51,s,
O,30,,,
C,31,170.72,s,
C,32,21.03,s,
O,33,,,
C,34,42.83,s,
C,35,38.2,s,
C,36,17.2,s,
C,37,55.6,s,
C,38,22.1,s,
C,39,39.7,s,
C,40,41.1,s,
C,41,16.5,s,
C,42,64.2,s,
C,43,39.41,s,
C,44,15.13,s,
O,45,,,
H,46,1.87,s,
H,47,1.87,s,
H,48,1.87,s,
H,49,4.31,s,
H,50,4.31,s,
H,51,1.64,s,
H,52,1.64,s,
H,53,1.64,s,
H,54,1.9,ddd,"13.0,12.4,7.6"
H,55,1.9,ddd,"12.4,6.8,0.9"
H,56,2.02,ddd,"12.4,7.6,0.9"
H,57,2.02,ddd,"13.0,12.4,6.8"
H,58,4.38,ddd,"11.9,5.6,5.5"
H,59,1.66,ddd,"12.4,12.2,11.9"
H,60,1.66,ddd,"12.4,5.6,3.2"
H,61,1.21,ddd,"12.2,9.2,3.2"
H,62,1.39,m,
H,63,1.88,ddd,"12.4,4.4,3.4"
H,64,1.88,ddd,"12.6,12.4,1.9"
H,65,4.99,ddd,"3.4,1.9,1.7"
H,66,2.02,s,
H,67,2.02,s,
H,68,2.02,s,
H,69,2.12,ddd,"12.0,2.4,1.7"
H,70,1.88,ddd,"12.4,9.1,2.4"
H,71,1.88,ddd,"12.4,12.0,7.8"
H,72,4.9,ddd,"9.1,7.8,1.5"
H,73,2.02,s,
H,74,2.02,s,
H,75,2.02,s,
H,76,4.9,ddd,"5.2,3.9,1.5"
H,77,2.02,s,
H,78,2.02,s,
H,79,2.02,s,
H,80,2.1,dd,"12.4,3.9"
H,81,2.1,dd,"12.4,5.2"
H,82,1.08,s,
H,83,1.08,s,
H,84,1.08,s,
H,85,0.9,ddd,"12.4,12.0,5.3"
H,86,1.1,m,
H,87,1.1,m,
H,88,1.48,ddd,"12.4,8.0,1.8"
H,89,1.48,ddd,"12.4,10.5,7.9"
H,90,0.8,s,
H,91,0.8,s,
H,92,0.8,s,
H,93,1.86,dd,"10.0,5.5"
H,94,2.29,dq,"10.0,6.7"
H,95,1.15,d,6.7
H,96,1.15,d,6.7
H,97,1.15,d,6.7
