C,1,20.45,s,
C,2,169.75,s,
O,3,,,
O,4,,,
C,5,60.45,s,
C,6,52.75,s,
C,7,75.3,s,
O,8,,,
C,9,165.7,s,
O,10,,,
C,11,133.4,s,
C,12,129.51,s,
C,13,128.88,s,
C,14,133.32,s,
C,15,128.88,s,
C,16,129.51,s,
C,17,70.57,s,
O,18,,,
C,19,165.1,s,
C,20,20.5,s,
O,21,,,
C,22,40.4,s,
C,23,76.6,s,
O,24,,,
C,25,93.16,s,
O,26,,,
C,27,85.37,s,
C,28,19.2,s,
C,29,70.07,s,
O,30,,,
C,31,168.5,s,
O,32,,,
C,33,125.4,s,
C,34,137.6,s,
C,35,121.1,s,
C,36,151.35,s,
N,37,,,
C,38,165.0,s,
C,39,36.35,s,
C,40,11.85,s,
C,41,45.0,s,
C,42,9.3,s,
C,43,174.45,s,
O,44,,,
O,45,,,
C,46,75.2,s,
C,47,80.31,s,
O,48,,,
C,49,171.68,s,
C,50,20.88,s,
O,51,,,
C,52,71.6,s,
O,53,,,
C,54,165.37,s,
O,55,,,
C,56,131.63,s,
C,57,129.51,s,
C,58,128.88,s,
C,59,133.32,s,
C,60,128.88,s,
C,61,129.51,s,
C,62,70.2,s,
C,63,23.17,s,
O,64,,,
H,65,2.07,s,
H,66,2.07,s,
H,67,2.07,s,
H,68,5.24,s,
H,69,5.24,s,
H,70,5.7,d,6.6
H,71,8.03,m,
H,72,7.46,m,
H,73,7.57,ddt,"8.2,7.3,1.4"
H,74,7.46,tdd,"7.3,1.4,0.5"
H,75,8.03,m,
H,76,5.54,dd,"6.6,0.9"
H,77,2.03,s,
H,78,2.03,s,
H,79,2.03,s,
H,80,2.83,dd,"1.9,0.9"
H,81,3.82,d,1.9
H,82,,,
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,"9.2,1.4"
H,89,7.27,dd,"9.2,4.9"
H,90,8.68,dd,"4.9,1.4"
H,91,4.66,dq,"11.2,6.7"
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,"11.2,6.7"
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,11.3
H,100,5.21,dd,"11.3,8.3"
H,101,2.05,s,
H,102,2.05,s,
H,103,2.05,s,
H,104,5.71,d,8.3
H,105,8.03,m,
H,106,7.46,m,
H,107,7.57,ddt,"7.9,7.0,1.4"
H,108,7.46,m,
H,109,8.03,m,
H,110,1.54,s,
H,111,1.54,s,
H,112,1.54,s,
H,113,,,
