C,1,20.45,s,
C,2,169.75,s,
O,3,,,
O,4,,,
C,5,60.3,s,
C,6,52.5,s,
C,7,70.9,s,
O,8,,,
C,9,169.05,s,
C,10,21.15,s,
O,11,,,
C,12,68.9,s,
O,13,,,
C,14,165.1,s,
C,15,20.5,s,
O,16,,,
C,17,50.4,s,
C,18,73.8,s,
O,19,,,
C,20,170.1,s,
C,21,21.6,s,
O,22,,,
C,23,94.4,s,
O,24,,,
C,25,83.9,s,
C,26,18.5,s,
C,27,69.9,s,
O,28,,,
C,29,168.5,s,
O,30,,,
C,31,125.4,s,
C,32,137.6,s,
C,33,121.1,s,
C,34,151.35,s,
N,35,,,
C,36,165.0,s,
C,37,36.35,s,
C,38,11.85,s,
C,39,45.0,s,
C,40,9.3,s,
C,41,174.45,s,
O,42,,,
O,43,,,
C,44,77.9,s,
C,45,69.6,s,
O,46,,,
C,47,75.3,s,
O,48,,,
C,49,169.9,s,
C,50,21.4,s,
O,51,,,
C,52,70.4,s,
C,53,22.85,s,
O,54,,,
H,55,2.07,s,
H,56,2.07,s,
H,57,2.07,s,
H,58,5.24,s,
H,59,5.24,s,
H,60,5.32,d,8.6
H,61,2.0,s,
H,62,2.0,s,
H,63,2.0,s,
H,64,5.54,dd,"8.6,2.5"
H,65,2.03,s,
H,66,2.03,s,
H,67,2.03,s,
H,68,2.33,dd,"2.5,1.6"
H,69,7.02,d,1.6
H,70,2.04,s,
H,71,2.04,s,
H,72,2.04,s,
H,73,1.69,s,
H,74,1.69,s,
H,75,1.69,s,
H,76,5.95,s,
H,77,5.95,s,
H,78,8.08,dd,"8.9,1.4"
H,79,7.27,dd,"8.9,4.4"
H,80,8.68,dd,"4.4,1.4"
H,81,4.66,qd,"6.7,6.4"
H,82,1.38,d,6.7
H,83,1.38,d,6.7
H,84,1.38,d,6.7
H,85,2.55,qd,"6.7,6.4"
H,86,1.21,d,6.7
H,87,1.21,d,6.7
H,88,1.21,d,6.7
H,89,4.76,d,2.4
H,90,3.94,dd,"6.2,2.4"
H,91,,,
H,92,4.77,d,6.2
H,93,2.0,s,
H,94,2.0,s,
H,95,2.0,s,
H,96,1.54,s,
H,97,1.54,s,
H,98,1.54,s,
H,99,,,
