C,1,13.9,s,
C,2,22.37,s,
C,3,31.36,s,
C,4,24.62,s,
C,5,33.43,s,
C,6,174.9,s,
O,7,,,
O,8,,,
C,9,70.28,s,
C,10,31.05,s,
C,11,33.44,s,
C,12,18.51,s,
C,13,89.43,s,
O,14,,,
C,15,84.6,s,
C,16,28.2,s,
C,17,28.2,s,
C,18,46.02,s,
C,19,76.57,s,
O,20,,,
C,21,169.94,s,
C,22,21.13,s,
O,23,,,
C,24,70.57,s,
O,25,,,
C,26,164.05,s,
O,27,,,
C,28,125.84,s,
C,29,137.37,s,
C,30,123.64,s,
C,31,153.57,s,
N,32,,,
C,33,150.58,s,
C,34,76.9,s,
O,35,,,
C,36,165.37,s,
O,37,,,
C,38,131.63,s,
C,39,129.51,s,
C,40,128.88,s,
C,41,133.32,s,
C,42,128.88,s,
C,43,129.51,s,
C,44,41.86,s,
C,45,23.79,s,
C,46,71.5,s,
O,47,,,
C,48,165.37,s,
O,49,,,
C,50,131.63,s,
C,51,129.51,s,
C,52,128.88,s,
C,53,133.32,s,
C,54,128.88,s,
C,55,129.51,s,
H,56,0.88,t,7.0
H,57,0.88,t,7.0
H,58,0.88,t,7.0
H,59,1.34,qt,"7.0,6.5"
H,60,1.34,qt,"7.0,6.5"
H,61,1.36,tt,"6.6,6.5"
H,62,1.36,tt,"6.6,6.5"
H,63,1.7,tt,"6.7,6.6"
H,64,1.7,tt,"6.7,6.6"
H,65,2.31,t,6.7
H,66,2.31,t,6.7
H,67,5.92,ddd,"9.5,5.4,4.0"
H,68,2.33,ddd,"12.5,12.4,9.5"
H,69,2.33,ddd,"12.4,7.3,5.4"
H,70,2.51,ddq,"12.5,7.3,6.6"
H,71,1.33,d,6.6
H,72,1.33,d,6.6
H,73,1.33,d,6.6
H,74,1.34,s,
H,75,1.34,s,
H,76,1.34,s,
H,77,1.34,s,
H,78,1.34,s,
H,79,1.34,s,
H,80,3.16,dd,"4.0,0.5"
H,81,5.19,d,4.0
H,82,2.04,s,
H,83,2.04,s,
H,84,2.04,s,
H,85,5.54,dd,"8.1,0.5"
H,86,8.57,ddd,"6.9,1.9,1.4"
H,87,7.48,ddd,"6.9,4.1,0.5"
H,88,8.78,dd,"4.1,1.4"
H,89,9.55,dd,"1.9,0.5"
H,90,4.77,d,8.1
H,91,8.03,m,
H,92,7.46,m,
H,93,7.57,ddt,"7.6,7.0,1.4"
H,94,7.46,tdd,"7.6,1.4,0.5"
H,95,8.03,m,
H,96,1.13,s,
H,97,1.13,s,
H,98,1.13,s,
H,99,4.77,d,4.0
H,100,8.03,m,
H,101,7.46,m,
H,102,7.57,ddt,"7.6,7.1,1.4"
H,103,7.46,m,
H,104,8.03,m,
