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,33,45.15,s,
C,34,69.05,s,
C,35,28.93,s,
Cl,36,,,
C,37,73.63,s,
C,38,30.57,s,
C,39,35.22,s,
C,40,80.53,s,
C,41,23.64,s,
O,42,,,
C,43,75.9,s,
O,44,,,
C,45,29.43,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,"12.7,5.5,2.0"
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,"15.4,12.7"
H,65,2.74,dd,"15.4,2.0"
H,66,2.78,dqd,"11.9,6.6,1.6"
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,"15.4,2.4"
H,81,2.74,dd,"15.4,5.3"
H,82,2.83,dd,"3.7,3.2"
H,83,2.44,dd,"15.4,3.2"
H,84,2.44,dd,"15.4,3.7"
H,85,1.88,s,
H,86,1.88,s,
H,87,1.88,s,
H,88,4.37,dd,"10.2,0.7"
H,89,,,
H,90,2.96,dd,"12.4,10.2"
H,91,2.96,dd,"12.4,0.7"
H,92,1.62,s,
H,93,1.62,s,
H,94,1.62,s,
H,95,5.66,dd,"8.8,6.8"
H,96,1.8,m,
H,97,1.8,m,
H,98,1.9,ddd,"12.4,11.3,9.1"
H,99,1.9,ddd,"12.4,8.7,0.5"
H,100,1.46,s,
H,101,1.46,s,
H,102,1.46,s,
H,103,4.08,dd,"9.9,5.5"
H,104,,,
H,105,1.8,m,
H,106,1.8,m,
H,107,2.21,ddd,"15.4,11.6,9.8"
H,108,2.21,ddd,"15.4,6.5,2.3"
H,109,1.71,s,
H,110,1.71,s,
H,111,1.71,s,
H,112,5.92,d,9.3
H,113,4.03,d,9.3
