C,1,25.85,s,
C,2,71.4,s,
C,3,25.85,s,
O,4,,,
C,5,83.54,s,
C,6,23.46,s,
C,7,47.92,s,
C,8,72.8,s,
O,9,,,
C,10,48.02,s,
C,11,43.99,s,
C,12,17.82,s,
C,13,49.59,s,
C,14,35.12,s,
C,15,77.06,s,
O,16,,,
C,17,106.26,s,
O,18,,,
C,19,66.93,s,
C,20,70.91,s,
O,21,,,
C,22,77.4,s,
O,23,,,
C,24,74.57,s,
O,25,,,
C,26,57.09,s,
C,27,37.8,s,
C,28,26.6,s,
C,29,26.6,s,
C,30,89.1,s,
O,31,,,
C,32,107.46,s,
O,33,,,
C,34,66.98,s,
C,35,70.91,s,
O,36,,,
C,37,77.76,s,
O,38,,,
C,39,74.92,s,
O,40,,,
C,41,29.85,s,
C,42,31.96,s,
C,43,21.2,s,
C,44,30.5,s,
C,45,23.81,s,
C,46,26.31,s,
C,47,32.64,s,
C,48,43.99,s,
C,49,17.82,s,
C,50,37.64,s,
C,51,26.1,s,
C,52,83.3,s,
O,53,,,
H,54,1.35,s,
H,55,1.35,s,
H,56,1.35,s,
H,57,1.35,s,
H,58,1.35,s,
H,59,1.35,s,
H,60,1.38,s,
H,61,1.38,s,
H,62,1.38,s,
H,63,2.44,d,7.8
H,64,4.74,ddd,"10.1,7.8,6.1"
H,65,,,
H,66,2.07,dd,"12.4,6.1"
H,67,2.07,dd,"12.4,10.1"
H,68,1.02,s,
H,69,1.02,s,
H,70,1.02,s,
H,71,1.88,dd,"12.8,4.4"
H,72,1.93,ddd,"12.8,12.5,12.4"
H,73,1.93,ddd,"12.4,4.4,3.3"
H,74,3.58,ddd,"12.5,11.0,3.3"
H,75,4.8,d,5.4
H,76,4.14,dd,"9.4,6.9"
H,77,4.14,dd,"9.4,1.7"
H,78,4.09,ddd,"9.7,6.9,1.7"
H,79,,,
H,80,4.04,dd,"11.1,9.7"
H,81,,,
H,82,4.01,dd,"11.1,5.4"
H,83,,,
H,84,1.64,d,11.0
H,85,1.18,s,
H,86,1.18,s,
H,87,1.18,s,
H,88,1.18,s,
H,89,1.18,s,
H,90,1.18,s,
H,91,3.23,dd,"11.4,6.9"
H,92,4.78,d,0.8
H,93,4.14,dd,"9.4,9.3"
H,94,4.14,dd,"9.4,8.2"
H,95,4.09,ddd,"9.3,8.2,0.6"
H,96,,,
H,97,4.04,dd,"3.5,0.6"
H,98,,,
H,99,3.92,dd,"3.5,0.8"
H,100,,,
H,101,1.95,m,
H,102,1.95,m,
H,103,1.57,ddd,"12.8,12.4,2.0"
H,104,1.57,ddd,"12.4,4.9,2.3"
H,105,0.6,s,
H,106,0.6,s,
H,107,1.57,ddd,"12.4,11.5,1.7"
H,108,1.57,ddd,"12.4,11.3,6.4"
H,109,1.65,ddd,"12.4,11.5,6.4"
H,110,1.65,ddd,"12.4,11.3,1.7"
H,111,1.34,s,
H,112,1.34,s,
H,113,1.34,s,
H,114,1.9,ddd,"13.7,12.4,4.2"
H,115,1.9,ddd,"12.4,4.8,3.2"
H,116,1.8,m,
H,117,1.8,m,
H,118,4.08,dd,"9.3,7.7"
H,119,,,
