C,1,109.93,s,
C,2,147.23,s,
C,3,29.1,s,
C,4,39.5,s,
C,5,44.99,s,
C,6,180.04,s,
O,7,,,
O,8,,,
C,9,23.31,s,
C,10,28.0,s,
C,11,41.13,s,
C,12,24.66,s,
C,13,143.73,s,
C,14,122.35,s,
C,15,23.54,s,
C,16,48.16,s,
C,17,36.43,s,
C,18,15.68,s,
C,19,39.02,s,
C,20,27.1,s,
C,21,88.5,s,
O,22,,,
C,23,107.2,s,
O,24,,,
C,25,66.5,s,
C,26,68.28,s,
O,27,,,
C,28,84.12,s,
O,29,,,
C,30,100.0,s,
O,31,,,
C,32,69.07,s,
C,33,18.25,s,
C,34,73.88,s,
O,35,,,
C,36,71.9,s,
O,37,,,
C,38,70.1,s,
O,39,,,
C,40,71.3,s,
O,41,,,
C,42,39.6,s,
C,43,22.28,s,
C,44,22.28,s,
C,45,55.81,s,
C,46,17.99,s,
C,47,32.9,s,
C,48,40.5,s,
C,49,16.58,s,
C,50,47.74,s,
C,51,33.14,s,
H,52,4.99,s,
H,53,4.99,s,
H,54,2.37,ddd,"15.4,11.3,9.6"
H,55,2.37,ddd,"15.4,8.2,0.4"
H,56,1.72,ddd,"12.4,9.6,0.4"
H,57,1.72,ddd,"12.4,11.3,8.2"
H,58,,,
H,59,1.89,ddd,"12.4,6.5,2.6"
H,60,1.89,ddd,"12.5,12.4,7.3"
H,61,1.65,ddd,"12.5,12.4,6.5"
H,62,1.65,ddd,"12.4,7.3,2.6"
H,63,1.31,s,
H,64,1.31,s,
H,65,1.31,s,
H,66,5.48,dd,"6.3,3.1"
H,67,1.93,ddd,"15.4,13.9,3.1"
H,68,1.93,ddd,"15.4,6.3,4.6"
H,69,1.82,dd,"13.9,4.6"
H,70,0.88,s,
H,71,0.88,s,
H,72,0.88,s,
H,73,1.97,ddd,"12.8,12.4,5.8"
H,74,1.97,ddd,"12.4,5.9,2.8"
H,75,1.97,m,
H,76,1.97,m,
H,77,3.4,dd,"10.2,5.2"
H,78,4.5,d,4.9
H,79,4.06,dd,"10.5,9.4"
H,80,4.06,dd,"9.4,7.1"
H,81,4.04,ddd,"10.5,7.1,0.8"
H,82,,,
H,83,4.03,dd,"3.6,0.8"
H,84,4.99,d,1.0
H,85,4.01,dq,"7.7,6.1"
H,86,1.27,d,6.1
H,87,1.27,d,6.1
H,88,1.27,d,6.1
H,89,3.91,dd,"7.7,7.3"
H,90,,,
H,91,4.05,dd,"7.3,2.1"
H,92,,,
H,93,4.68,dd,"2.1,1.0"
H,94,,,
H,95,3.6,dd,"4.9,3.6"
H,96,,,
H,97,1.1,s,
H,98,1.1,s,
H,99,1.1,s,
H,100,1.1,s,
H,101,1.1,s,
H,102,1.1,s,
H,103,0.74,dd,"13.3,5.8"
H,104,1.46,tdd,"13.3,12.4,0.8"
H,105,1.46,m,
H,106,1.49,ddd,"12.4,3.4,0.8"
H,107,1.49,ddd,"13.3,12.4,5.7"
H,108,1.08,s,
H,109,1.08,s,
H,110,1.08,s,
H,111,2.94,dd,"11.3,8.3"
H,112,2.44,dd,"15.4,11.3"
H,113,2.44,dd,"15.4,8.3"
