C,1,14.03,s,
C,2,37.77,s,
C,3,54.73,s,
C,4,79.25,s,
O,5,,,
C,6,109.5,s,
O,7,,,
C,8,172.96,s,
O,9,,,
C,10,38.14,s,
C,11,16.5,s,
C,12,35.12,s,
C,13,68.29,s,
O,14,,,
C,15,74.22,s,
O,16,,,
C,17,54.73,s,
C,18,37.64,s,
C,19,30.31,s,
C,20,121.83,s,
C,21,140.68,s,
C,22,38.9,s,
C,23,79.4,s,
O,24,,,
C,25,96.05,s,
O,26,,,
C,27,77.41,s,
C,28,62.57,s,
O,29,,,
C,30,71.18,s,
O,31,,,
C,32,74.52,s,
O,33,,,
C,34,81.86,s,
O,35,,,
C,36,101.95,s,
O,37,,,
C,38,69.42,s,
C,39,18.25,s,
C,40,73.88,s,
O,41,,,
C,42,71.76,s,
O,43,,,
C,44,72.2,s,
O,45,,,
C,46,30.2,s,
C,47,37.49,s,
C,48,36.74,s,
C,49,18.79,s,
C,50,51.4,s,
C,51,20.83,s,
C,52,38.07,s,
C,53,37.91,s,
C,54,16.96,s,
H,55,1.15,d,6.7
H,56,1.15,d,6.7
H,57,1.15,d,6.7
H,58,2.29,dq,"9.0,6.7"
H,59,1.86,dd,"10.8,9.0"
H,60,4.66,dd,"10.8,3.6"
H,61,2.41,dqd,"9.7,6.7,2.0"
H,62,1.17,d,6.7
H,63,1.17,d,6.7
H,64,1.17,d,6.7
H,65,1.88,ddd,"12.4,3.9,2.0"
H,66,1.88,ddd,"12.4,9.7,4.2"
H,67,3.5,dd,"4.2,3.9"
H,68,,,
H,69,4.19,dd,"7.2,3.6"
H,70,,,
H,71,1.86,dd,"7.2,1.4"
H,72,1.55,m,
H,73,2.02,ddd,"15.4,11.9,2.8"
H,74,2.02,ddd,"15.4,5.9,2.4"
H,75,5.33,dd,"5.9,2.8"
H,76,2.4,dd,"15.4,9.9"
H,77,2.4,dd,"15.4,5.6"
H,78,3.79,m,
H,79,4.95,d,6.7
H,80,3.84,td,"5.4,1.3"
H,81,4.04,d,5.4
H,82,4.04,d,5.4
H,83,,,
H,84,3.36,dd,"4.0,1.3"
H,85,,,
H,86,3.44,dd,"4.0,1.9"
H,87,,,
H,88,3.15,dd,"6.7,1.9"
H,89,5.66,d,0.5
H,90,4.01,dq,"6.8,6.1"
H,91,1.27,d,6.1
H,92,1.27,d,6.1
H,93,1.27,d,6.1
H,94,3.91,dd,"7.6,6.8"
H,95,,,
H,96,4.05,dd,"7.6,6.2"
H,97,,,
H,98,4.22,dd,"6.2,0.5"
H,99,,,
H,100,1.94,m,
H,101,1.94,m,
H,102,1.61,ddd,"12.4,5.7,3.1"
H,103,1.61,ddd,"13.4,12.4,5.8"
H,104,0.99,s,
H,105,0.99,s,
H,106,0.99,s,
H,107,1.0,ddd,"13.2,3.9,3.8"
H,108,1.48,m,
H,109,1.48,m,
H,110,1.17,ddd,"12.4,9.6,0.8"
H,111,1.17,ddd,"12.4,10.7,8.2"
H,112,0.94,s,
H,113,0.94,s,
H,114,0.94,s,
