C,1,18.25,s,
C,2,69.42,s,
O,3,,,
C,4,101.9,s,
O,5,,,
C,6,78.67,s,
C,7,69.4,s,
O,8,,,
C,9,73.4,s,
O,10,,,
C,11,69.1,s,
C,12,17.6,s,
O,13,,,
C,14,103.29,s,
O,15,,,
C,16,78.41,s,
C,17,25.64,s,
C,18,21.15,s,
C,19,31.19,s,
C,20,137.6,s,
C,21,122.73,s,
C,22,32.18,s,
C,23,32.9,s,
C,24,56.7,s,
C,25,32.0,s,
C,26,80.95,s,
O,27,,,
C,28,109.25,s,
C,29,31.65,s,
C,30,29.05,s,
C,31,30.45,s,
C,32,17.25,s,
C,33,66.9,s,
O,34,,,
C,35,41.8,s,
C,36,14.75,s,
C,37,62.65,s,
C,38,40.25,s,
C,39,16.4,s,
C,40,40.5,s,
C,41,23.9,s,
C,42,50.3,s,
C,43,42.8,s,
C,44,14.9,s,
C,45,71.77,s,
O,46,,,
C,47,71.76,s,
O,48,,,
C,49,73.88,s,
O,50,,,
H,51,1.27,d,6.1
H,52,1.27,d,6.1
H,53,1.27,d,6.1
H,54,4.01,dq,"9.3,6.1"
H,55,5.3,d,7.5
H,56,4.29,dd,"8.6,7.6"
H,57,4.05,dd,"8.6,7.5"
H,58,,,
H,59,3.83,dd,"7.5,6.7"
H,60,,,
H,61,3.81,dq,"6.7,6.1"
H,62,1.27,d,6.1
H,63,1.27,d,6.1
H,64,1.27,d,6.1
H,65,5.14,d,7.6
H,66,4.77,dd,"10.0,1.6"
H,67,1.8,m,
H,68,1.8,m,
H,69,1.66,m,
H,70,1.66,m,
H,71,2.08,ddd,"15.4,13.0,7.1"
H,72,2.08,ddd,"15.4,6.1,1.4"
H,73,5.34,dd,"4.5,3.3"
H,74,1.85,ddd,"15.4,10.7,3.3"
H,75,1.85,ddd,"15.4,5.9,4.5"
H,76,1.51,m,
H,77,1.1,ddd,"11.9,10.5,6.2"
H,78,1.64,ddd,"12.4,10.0,6.2"
H,79,1.64,ddd,"12.4,11.9,5.1"
H,80,4.38,ddd,"10.0,7.0,5.1"
H,81,1.63,ddd,"12.4,11.3,5.0"
H,82,1.63,ddd,"12.4,11.5,2.9"
H,83,1.53,m,
H,84,1.53,m,
H,85,1.62,m,
H,86,0.87,d,6.4
H,87,0.87,d,6.4
H,88,0.87,d,6.4
H,89,3.42,dd,"9.4,4.5"
H,90,3.42,dd,"9.4,9.3"
H,91,1.87,qd,"6.7,1.1"
H,92,0.98,d,6.7
H,93,0.98,d,6.7
H,94,0.98,d,6.7
H,95,1.78,dd,"7.0,1.1"
H,96,0.78,s,
H,97,0.78,s,
H,98,0.78,s,
H,99,1.48,ddd,"13.4,12.4,1.8"
H,100,1.48,ddd,"12.4,5.0,1.8"
H,101,1.47,m,
H,102,1.47,m,
H,103,1.61,ddd,"11.5,10.0,0.9"
H,104,1.25,s,
H,105,1.25,s,
H,106,1.25,s,
H,107,4.22,dd,"7.5,3.5"
H,108,,,
H,109,4.05,dd,"3.5,0.9"
H,110,,,
H,111,3.91,dd,"9.3,0.9"
H,112,,,
