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,30,147.7,s,
C,31,73.18,s,
O,32,,,
C,33,40.59,s,
C,34,77.48,s,
C,35,25.81,s,
O,36,,,
C,37,67.05,s,
Cl,38,,,
C,39,35.24,s,
C,40,35.22,s,
C,41,60.59,s,
C,42,17.53,s,
O,43,,,
C,44,61.67,s,
C,45,24.72,s,
C,46,35.68,s,
C,47,135.3,s,
C,48,23.8,s,
C,49,132.74,s,
C,50,54.79,s,
H,51,3.63,s,
H,52,3.63,s,
H,53,3.63,s,
H,54,2.57,s,
H,55,2.57,s,
H,56,3.82,ddd,"11.8,5.5,1.5"
H,57,1.87,m,"6.4,5.5"
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,63,0.88,d,6.4
H,64,2.74,dd,"15.4,1.5"
H,65,2.74,dd,"15.4,11.8"
H,66,2.78,dqd,"12.1,6.6,2.2"
H,67,1.12,d,6.6
H,68,1.12,d,6.6
H,69,1.12,d,6.6
H,70,1.56,m,
H,71,1.56,m,
H,72,1.42,m,
H,73,1.42,m,
H,74,1.23,m,
H,75,1.23,m,
H,76,2.09,m,
H,77,0.94,d,6.4
H,78,0.94,d,6.4
H,79,0.94,d,6.4
H,80,2.74,dd,"15.4,9.3"
H,81,2.74,dd,"15.4,1.3"
H,82,2.83,dd,"13.5,3.8"
H,83,2.44,dd,"15.4,3.8"
H,84,2.44,dd,"15.4,13.5"
H,85,1.88,s,
H,86,1.88,s,
H,87,1.88,s,
H,88,4.37,dd,"10.7,1.1"
H,89,,,
H,90,2.27,dd,"12.4,1.1"
H,91,2.27,dd,"12.4,10.7"
H,92,1.4,s,
H,93,1.4,s,
H,94,1.4,s,
H,95,,,
H,96,4.47,dd,"10.5,1.2"
H,97,1.83,m,
H,98,1.83,m,
H,99,1.9,ddd,"12.4,6.1,3.9"
H,100,1.9,ddd,"13.9,12.4,3.7"
H,101,1.33,s,
H,102,1.33,s,
H,103,1.33,s,
H,104,4.09,dd,"9.3,6.0"
H,105,1.8,m,
H,106,1.8,m,
H,107,2.21,ddd,"15.4,11.5,0.7"
H,108,2.21,ddd,"15.4,12.5,6.0"
H,109,1.71,s,
H,110,1.71,s,
H,111,1.71,s,
H,112,5.92,d,3.5
H,113,4.03,d,3.5
