C,1,13.1,s,
C,2,122.0,s,
C,3,137.53,s,
C,4,14.8,s,
C,5,75.3,s,
O,6,,,
C,7,172.7,s,
O,8,,,
O,9,,,
C,10,73.8,s,
C,11,35.12,s,
C,12,52.87,s,
C,13,75.03,s,
C,14,30.22,s,
C,15,30.22,s,
O,16,,,
C,17,37.66,s,
C,18,17.35,s,
C,19,34.27,s,
C,20,28.3,s,
C,21,174.2,s,
O,22,,,
O,23,,,
C,24,51.49,s,
C,25,48.76,s,
C,26,18.92,s,
C,27,37.39,s,
C,28,39.94,s,
C,29,20.6,s,
C,30,159.3,s,
C,31,118.0,s,
C,32,34.8,s,
C,33,50.54,s,
C,34,41.19,s,
C,35,70.43,s,
O,36,,,
C,37,74.32,s,
C,38,126.5,s,
C,39,135.0,s,
C,40,21.95,s,
C,41,21.95,s,
C,42,35.12,s,
C,43,47.0,s,
C,44,24.9,s,
H,45,1.6,d,7.0
H,46,1.6,d,7.0
H,47,1.6,d,7.0
H,48,5.43,q,7.0
H,49,1.76,s,
H,50,1.76,s,
H,51,1.76,s,
H,52,4.52,s,
H,53,,,
H,54,5.17,dd,"11.9,5.2"
H,55,1.92,ddd,"12.4,5.2,1.9"
H,56,1.92,ddd,"12.4,11.9,8.0"
H,57,1.95,dd,"8.0,1.9"
H,58,1.48,s,
H,59,1.48,s,
H,60,1.48,s,
H,61,1.48,s,
H,62,1.48,s,
H,63,1.48,s,
H,64,,,
H,65,1.26,s,
H,66,1.26,s,
H,67,1.26,s,
H,68,3.13,t,6.9
H,69,3.13,t,6.9
H,70,1.95,t,6.9
H,71,1.95,t,6.9
H,72,3.61,s,
H,73,3.61,s,
H,74,3.61,s,
H,75,2.11,dd,"9.4,9.3"
H,76,1.69,m,
H,77,1.69,m,
H,78,2.1,ddd,"12.4,11.1,6.8"
H,79,2.1,ddd,"12.4,10.8,1.3"
H,80,1.01,s,
H,81,1.01,s,
H,82,1.01,s,
H,83,5.3,dd,"4.6,3.0"
H,84,2.63,ddd,"12.4,9.9,3.0"
H,85,2.63,ddd,"12.4,4.6,2.1"
H,86,1.61,ddd,"9.9,5.6,2.1"
H,87,2.3,m,
H,88,4.04,dd,"6.4,4.6"
H,89,4.04,dd,"9.3,6.4"
H,90,5.19,ddd,"11.9,7.0,4.4"
H,91,5.13,d,7.0
H,92,1.76,s,
H,93,1.76,s,
H,94,1.76,s,
H,95,1.76,s,
H,96,1.76,s,
H,97,1.76,s,
H,98,1.88,ddd,"12.4,9.6,4.4"
H,99,1.88,ddd,"12.4,11.9,9.5"
H,100,1.18,s,
H,101,1.18,s,
H,102,1.18,s,
