C,1,15.88,s,
C,2,35.85,s,
C,3,65.34,s,
O,4,,,
C,5,110.27,s,
O,6,,,
C,7,80.92,s,
C,8,30.1,s,
C,9,56.32,s,
C,10,34.74,s,
C,11,41.0,s,
C,12,79.9,s,
O,13,,,
C,14,105.6,s,
O,15,,,
C,16,72.7,s,
C,17,18.8,s,
C,18,72.4,s,
O,19,,,
C,20,83.7,s,
O,21,,,
C,22,103.3,s,
O,23,,,
C,24,69.07,s,
C,25,18.25,s,
C,26,73.88,s,
O,27,,,
C,28,71.9,s,
O,29,,,
C,30,72.5,s,
O,31,,,
C,32,75.9,s,
O,33,,,
C,34,49.79,s,
C,35,34.17,s,
C,36,71.58,s,
O,37,,,
C,38,31.14,s,
C,39,37.93,s,
C,40,37.3,s,
C,41,17.01,s,
C,42,49.21,s,
C,43,20.87,s,
C,44,38.83,s,
C,45,39.26,s,
C,46,15.87,s,
C,47,61.08,s,
C,48,40.52,s,
C,49,13.41,s,
C,50,68.29,s,
O,51,,,
C,52,36.82,s,
H,53,0.77,d,6.4
H,54,0.77,d,6.4
H,55,0.77,d,6.4
H,56,2.02,m,
H,57,3.48,dd,"11.3,9.4"
H,58,3.48,dd,"9.4,5.6"
H,59,4.38,ddd,"10.6,8.1,6.3"
H,60,1.65,ddd,"12.4,11.2,8.1"
H,61,1.65,ddd,"12.4,6.3,4.0"
H,62,1.21,ddd,"11.2,6.2,4.0"
H,63,1.39,m,
H,64,1.88,ddd,"12.4,12.1,5.5"
H,65,1.88,ddd,"12.4,6.1,1.9"
H,66,4.88,ddd,"5.5,2.4,1.9"
H,67,4.82,d,4.3
H,68,4.27,dq,"8.4,6.1"
H,69,1.47,d,6.1
H,70,1.47,d,6.1
H,71,1.47,d,6.1
H,72,3.54,dd,"8.4,2.9"
H,73,,,
H,74,4.5,dd,"7.7,2.9"
H,75,5.87,d,7.2
H,76,4.01,qd,"6.1,5.8"
H,77,1.27,d,6.1
H,78,1.27,d,6.1
H,79,1.27,d,6.1
H,80,3.91,dd,"5.8,1.7"
H,81,,,
H,82,4.05,dd,"1.7,1.3"
H,83,,,
H,84,4.68,dd,"7.2,1.3"
H,85,,,
H,86,3.96,dd,"7.7,4.3"
H,87,,,
H,88,2.12,ddd,"11.4,6.7,2.4"
H,89,1.88,ddd,"12.4,11.4,8.9"
H,90,1.88,ddd,"12.4,6.7,4.3"
H,91,3.73,m,
H,92,,,
H,93,1.64,m,
H,94,1.64,m,
H,95,1.5,ddd,"12.4,7.9,2.2"
H,96,1.5,ddd,"12.4,10.1,8.6"
H,97,0.91,s,
H,98,0.91,s,
H,99,0.91,s,
H,100,0.9,ddd,"9.2,6.6,0.6"
H,101,1.38,m,
H,102,1.38,m,
H,103,1.48,ddd,"14.1,12.4,2.3"
H,104,1.48,ddd,"12.4,6.3,2.4"
H,105,0.78,s,
H,106,0.78,s,
H,107,0.78,s,
H,108,1.78,dd,"10.6,4.7"
H,109,2.29,qd,"6.7,4.7"
H,110,1.15,d,6.7
H,111,1.15,d,6.7
H,112,1.15,d,6.7
H,113,3.5,dd,"4.4,2.4"
H,114,,,
H,115,1.66,ddd,"12.4,5.8,2.4"
H,116,1.66,ddd,"12.4,9.5,4.4"
