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,7,72.7,s,
O,8,,,
C,9,169.05,s,
C,10,21.15,s,
O,11,,,
C,12,79.25,s,
O,13,,,
C,14,98.83,s,
O,15,,,
C,16,160.05,s,
C,17,116.46,s,
C,18,129.65,s,
C,19,123.55,s,
C,20,129.65,s,
C,21,116.46,s,
C,22,50.4,s,
C,23,73.8,s,
O,24,,,
C,25,170.1,s,
C,26,21.6,s,
O,27,,,
C,28,94.3,s,
O,29,,,
C,30,83.9,s,
C,31,18.5,s,
C,32,69.9,s,
O,33,,,
C,34,168.5,s,
O,35,,,
C,36,125.4,s,
C,37,137.6,s,
C,38,121.1,s,
C,39,151.35,s,
N,40,,,
C,41,165.0,s,
C,42,36.35,s,
C,43,11.85,s,
C,44,45.0,s,
C,45,9.3,s,
C,46,174.45,s,
O,47,,,
O,48,,,
C,49,75.2,s,
C,50,68.4,s,
O,51,,,
C,52,168.5,s,
C,53,21.29,s,
O,54,,,
C,55,71.6,s,
O,56,,,
C,57,169.2,s,
C,58,20.5,s,
O,59,,,
C,60,70.2,s,
C,61,23.17,s,
O,62,,,
H,63,2.07,s,
H,64,2.07,s,
H,65,2.07,s,
H,66,5.24,s,
H,67,5.24,s,
H,68,5.7,d,8.1
H,69,2.0,s,
H,70,2.0,s,
H,71,2.0,s,
H,72,4.66,dd,"8.1,3.1"
H,73,5.5,s,
H,74,5.5,s,
H,75,6.95,m,
H,76,7.32,m,
H,77,7.04,ddt,"7.6,6.9,1.4"
H,78,7.32,m,
H,79,6.95,m,
H,80,2.33,dd,"3.1,2.2"
H,81,7.02,d,2.2
H,82,2.04,s,
H,83,2.04,s,
H,84,2.04,s,
H,85,1.69,s,
H,86,1.69,s,
H,87,1.69,s,
H,88,5.95,s,
H,89,5.95,s,
H,90,8.08,dd,"9.6,1.4"
H,91,7.27,dd,"9.6,4.1"
H,92,8.68,dd,"4.1,1.4"
H,93,4.66,dq,"12.0,6.7"
H,94,1.38,d,6.7
H,95,1.38,d,6.7
H,96,1.38,d,6.7
H,97,2.55,dq,"12.0,6.7"
H,98,1.21,d,6.7
H,99,1.21,d,6.7
H,100,1.21,d,6.7
H,101,4.75,d,6.3
H,102,4.7,dd,"6.3,5.6"
H,103,2.03,s,
H,104,2.03,s,
H,105,2.03,s,
H,106,5.71,d,5.6
H,107,2.0,s,
H,108,2.0,s,
H,109,2.0,s,
H,110,1.54,s,
H,111,1.54,s,
H,112,1.54,s,
H,113,,,
