C,1,52.29,s,
O,2,,,
C,3,174.33,s,
O,4,,,
C,5,48.8,s,
C,6,49.84,s,
C,7,,,
O,8,,,
C,9,48.88,s,
C,10,29.4,s,
C,11,20.29,s,
C,12,20.29,s,
C,13,43.37,s,
C,14,,,
O,15,,,
C,16,45.99,s,
C,17,18.5,s,
C,18,26.84,s,
C,19,25.99,s,
C,20,37.0,s,
C,21,29.4,s,
C,22,19.9,s,
C,23,43.37,s,
C,24,,,
O,25,,,
C,26,59.21,s,
C,27,33.14,s,
C,28,137.08,s,
C,29,19.61,s,
C,30,141.77,s,
C,31,39.42,s,
C,32,74.36,s,
O,33,,,
C,34,75.97,s,
C,35,13.23,s,
O,36,,,
C,37,83.52,s,
C,38,27.6,s,
C,39,35.68,s,
C,40,135.3,s,
C,41,23.8,s,
C,42,132.74,s,
C,43,54.79,s,
C,44,80.53,s,
C,45,23.64,s,
C,46,35.22,s,
C,47,24.6,s,
C,48,83.52,s,
O,49,,,
H,50,3.63,s,
H,51,3.63,s,
H,52,3.63,s,
H,53,2.57,s,
H,54,2.57,s,
H,55,3.82,ddd,"6.0,5.5,2.3"
H,56,1.87,m,"6.4,5.5"
H,57,0.88,d,6.4
H,58,0.88,d,6.4
H,59,0.88,d,6.4
H,60,0.88,d,6.4
H,61,0.88,d,6.4
H,62,0.88,d,6.4
H,63,2.74,dd,"15.4,2.3"
H,64,2.74,dd,"15.4,6.0"
H,65,2.78,dqd,"8.7,6.6,1.1"
H,66,1.12,d,6.6
H,67,1.12,d,6.6
H,68,1.12,d,6.6
H,69,1.56,m,
H,70,1.56,m,
H,71,1.42,m,
H,72,1.42,m,
H,73,1.23,m,
H,74,1.23,m,
H,75,2.09,m,
H,76,0.94,d,6.4
H,77,0.94,d,6.4
H,78,0.94,d,6.4
H,79,2.74,dd,"15.4,1.9"
H,80,2.74,dd,"15.4,12.4"
H,81,2.83,dd,"9.6,0.7"
H,82,2.44,dd,"15.4,0.7"
H,83,2.44,dd,"15.4,9.6"
H,84,1.88,s,
H,85,1.88,s,
H,86,1.88,s,
H,87,2.72,dd,"15.4,4.8"
H,88,2.72,dd,"15.4,9.6"
H,89,4.08,dd,"9.6,4.8"
H,90,,,
H,91,1.29,s,
H,92,1.29,s,
H,93,1.29,s,
H,94,4.54,dd,"10.0,3.0"
H,95,1.91,m,
H,96,1.91,m,
H,97,2.21,ddd,"15.4,9.9,1.5"
H,98,2.21,ddd,"15.4,9.6,0.4"
H,99,1.71,s,
H,100,1.71,s,
H,101,1.71,s,
H,102,5.92,d,6.1
H,103,4.03,d,6.1
H,104,1.46,s,
H,105,1.46,s,
H,106,1.46,s,
H,107,1.9,ddd,"12.4,10.8,1.2"
H,108,1.9,ddd,"12.4,9.3,7.9"
H,109,2.11,m,
H,110,2.11,m,
H,111,4.54,dd,"7.3,0.6"
