C,1,21.3,s,
C,2,170.5,s,
O,3,,,
O,4,,,
C,5,65.36,s,
C,6,57.93,s,
C,7,76.9,s,
O,8,,,
C,9,169.89,s,
C,10,20.79,s,
O,11,,,
C,12,74.22,s,
O,13,,,
C,14,50.4,s,
C,15,74.4,s,
O,16,,,
C,17,170.1,s,
C,18,21.6,s,
O,19,,,
C,20,93.16,s,
O,21,,,
C,22,84.2,s,
C,23,18.3,s,
C,24,70.2,s,
O,25,,,
C,26,168.5,s,
O,27,,,
C,28,125.4,s,
C,29,137.6,s,
C,30,121.1,s,
C,31,151.35,s,
N,32,,,
C,33,165.0,s,
C,34,36.35,s,
C,35,11.85,s,
C,36,45.0,s,
C,37,9.3,s,
C,38,174.45,s,
O,39,,,
O,40,,,
C,41,75.2,s,
C,42,80.31,s,
O,43,,,
C,44,166.77,s,
O,45,,,
C,46,109.63,s,
C,47,138.5,s,
C,48,119.1,s,
C,49,162.7,s,
O,50,,,
N,51,,,
C,52,38.0,s,
C,53,143.3,s,
C,54,71.6,s,
O,55,,,
C,56,165.37,s,
O,57,,,
C,58,131.63,s,
C,59,129.51,s,
C,60,128.88,s,
C,61,133.32,s,
C,62,128.88,s,
C,63,129.51,s,
C,64,70.2,s,
C,65,23.17,s,
O,66,,,
H,67,2.07,s,
H,68,2.07,s,
H,69,2.07,s,
H,70,5.02,s,
H,71,5.02,s,
H,72,4.77,d,4.2
H,73,2.0,s,
H,74,2.0,s,
H,75,2.0,s,
H,76,4.19,dd,"8.4,4.2"
H,77,,,
H,78,2.83,dd,"8.4,2.9"
H,79,7.02,d,2.9
H,80,2.04,s,
H,81,2.04,s,
H,82,2.04,s,
H,83,1.69,s,
H,84,1.69,s,
H,85,1.69,s,
H,86,5.95,s,
H,87,5.95,s,
H,88,8.08,dd,"9.0,1.4"
H,89,7.27,dd,"9.0,4.4"
H,90,8.68,dd,"4.4,1.4"
H,91,4.66,dq,"7.0,6.7"
H,92,1.38,d,6.7
H,93,1.38,d,6.7
H,94,1.38,d,6.7
H,95,2.55,dq,"7.0,6.7"
H,96,1.21,d,6.7
H,97,1.21,d,6.7
H,98,1.21,d,6.7
H,99,4.75,d,10.5
H,100,5.21,dd,"10.5,8.7"
H,101,6.9,dd,"8.0,1.9"
H,102,6.63,d,8.0
H,103,4.03,s,
H,104,4.03,s,
H,105,4.03,s,
H,106,7.61,d,1.9
H,107,5.71,d,8.7
H,108,8.03,m,
H,109,7.46,m,
H,110,7.57,ddt,"7.8,7.0,1.4"
H,111,7.46,m,
H,112,8.03,m,
H,113,1.54,s,
H,114,1.54,s,
H,115,1.54,s,
H,116,,,
