C,1,20.5,s,
C,2,169.8,s,
O,3,,,
O,4,,,
C,5,60.4,s,
C,6,52.2,s,
C,7,77.4,s,
O,8,,,
C,9,169.4,s,
C,10,20.2,s,
O,11,,,
C,12,196.4,s,
O,13,,,
C,14,61.9,s,
C,15,76.57,s,
O,16,,,
C,17,169.94,s,
C,18,21.13,s,
O,19,,,
C,20,89.43,s,
O,21,,,
C,22,85.8,s,
C,23,19.2,s,
C,24,70.1,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,41,79.25,s,
C,42,80.31,s,
O,43,,,
C,44,171.68,s,
C,45,20.88,s,
O,46,,,
C,47,71.6,s,
O,48,,,
C,49,169.2,s,
C,50,20.5,s,
O,51,,,
C,52,44.41,s,
C,53,11.47,s,
H,54,2.07,s,
H,55,2.07,s,
H,56,2.07,s,
H,57,5.19,s,
H,58,5.19,s,
H,59,6.08,s,
H,60,2.0,s,
H,61,2.0,s,
H,62,2.0,s,
H,63,3.01,d,1.6
H,64,5.19,d,1.6
H,65,2.04,s,
H,66,2.04,s,
H,67,2.04,s,
H,68,1.69,s,
H,69,1.69,s,
H,70,1.69,s,
H,71,5.95,s,
H,72,5.95,s,
H,73,8.08,dd,"9.2,1.4"
H,74,7.27,dd,"9.2,4.2"
H,75,8.68,dd,"4.2,1.4"
H,76,4.66,qd,"6.7,3.7"
H,77,1.38,d,6.7
H,78,1.38,d,6.7
H,79,1.38,d,6.7
H,80,2.55,qd,"6.7,3.7"
H,81,1.21,d,6.7
H,82,1.21,d,6.7
H,83,1.21,d,6.7
H,84,5.41,dd,"8.6,2.9"
H,85,5.58,dd,"8.6,6.8"
H,86,2.05,s,
H,87,2.05,s,
H,88,2.05,s,
H,89,5.71,d,6.8
H,90,2.0,s,
H,91,2.0,s,
H,92,2.0,s,
H,93,2.8,qd,"6.7,2.9"
H,94,1.28,d,6.7
H,95,1.28,d,6.7
H,96,1.28,d,6.7
