C,1,15.88,s,
C,2,35.85,s,
C,3,65.34,s,
O,4,,,
C,5,111.09,s,
O,6,,,
C,7,79.25,s,
C,8,74.22,s,
O,9,,,
C,10,54.73,s,
C,11,37.9,s,
C,12,29.67,s,
C,13,28.45,s,
C,14,44.8,s,
C,15,33.71,s,
C,16,76.92,s,
O,17,,,
C,18,101.32,s,
O,19,,,
C,20,77.41,s,
C,21,62.57,s,
O,22,,,
C,23,72.07,s,
O,24,,,
C,25,78.08,s,
O,26,,,
C,27,78.67,s,
O,28,,,
C,29,106.39,s,
O,30,,,
C,31,78.77,s,
C,32,62.49,s,
O,33,,,
C,34,70.68,s,
O,35,,,
C,36,78.37,s,
O,37,,,
C,38,76.39,s,
O,39,,,
C,40,29.13,s,
C,41,37.6,s,
C,42,35.76,s,
C,43,18.22,s,
C,44,50.86,s,
C,45,21.64,s,
C,46,41.6,s,
C,47,37.67,s,
C,48,16.8,s,
C,49,54.73,s,
C,50,37.77,s,
C,51,14.03,s,
C,52,68.29,s,
O,53,,,
C,54,36.82,s,
H,55,0.77,d,6.4
H,56,0.77,d,6.4
H,57,0.77,d,6.4
H,58,2.02,m,
H,59,3.48,dd,"9.4,7.5"
H,60,3.48,dd,"10.9,9.4"
H,61,4.66,dd,"9.3,1.3"
H,62,4.19,dd,"6.6,1.3"
H,63,,,
H,64,1.86,dd,"11.6,6.6"
H,65,1.59,m,
H,66,1.29,m,
H,67,1.29,m,
H,68,1.6,m,
H,69,1.6,m,
H,70,1.09,m,
H,71,1.51,ddd,"12.7,12.4,11.2"
H,72,1.51,ddd,"12.4,3.9,2.6"
H,73,4.25,m,
H,74,4.9,d,4.2
H,75,3.84,td,"5.4,2.4"
H,76,4.04,d,5.4
H,77,4.04,d,5.4
H,78,,,
H,79,4.23,dd,"3.9,2.4"
H,80,,,
H,81,4.2,dd,"3.9,1.8"
H,82,,,
H,83,4.29,dd,"4.2,1.8"
H,84,5.24,d,8.5
H,85,3.63,dt,"7.9,5.4"
H,86,4.04,d,5.4
H,87,4.04,d,5.4
H,88,,,
H,89,3.97,dd,"7.9,6.7"
H,90,,,
H,91,3.85,dd,"6.7,5.4"
H,92,,,
H,93,4.07,dd,"8.5,5.4"
H,94,,,
H,95,1.74,m,
H,96,1.74,m,
H,97,1.37,ddd,"12.4,11.3,7.7"
H,98,1.37,ddd,"12.4,7.0,1.9"
H,99,0.93,s,
H,100,0.93,s,
H,101,0.93,s,
H,102,0.9,ddd,"9.9,9.7,8.5"
H,103,1.46,m,
H,104,1.46,m,
H,105,1.72,ddd,"13.2,12.4,6.4"
H,106,1.72,ddd,"12.4,6.7,2.9"
H,107,1.15,s,
H,108,1.15,s,
H,109,1.15,s,
H,110,1.86,dd,"9.3,7.5"
H,111,2.29,dq,"7.5,6.7"
H,112,1.15,d,6.7
H,113,1.15,d,6.7
H,114,1.15,d,6.7
H,115,3.5,dd,"6.8,1.9"
H,116,,,
H,117,1.66,ddd,"12.4,3.5,1.9"
H,118,1.66,ddd,"12.4,10.3,6.8"
