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,14,60.7,s,
C,15,74.88,s,
O,16,,,
C,17,93.16,s,
O,18,,,
C,19,85.8,s,
C,20,19.2,s,
C,21,70.1,s,
O,22,,,
C,23,168.5,s,
O,24,,,
C,25,125.4,s,
C,26,137.6,s,
C,27,121.1,s,
C,28,151.35,s,
N,29,,,
C,30,165.0,s,
C,31,36.35,s,
C,32,11.85,s,
C,33,45.0,s,
C,34,9.3,s,
C,35,174.45,s,
O,36,,,
O,37,,,
C,38,75.2,s,
C,39,75.52,s,
O,40,,,
C,41,171.09,s,
C,42,20.86,s,
O,43,,,
C,44,77.86,s,
O,45,,,
C,46,70.2,s,
C,47,23.17,s,
O,48,,,
H,49,2.07,s,
H,50,2.07,s,
H,51,2.07,s,
H,52,5.19,s,
H,53,5.19,s,
H,54,6.08,s,
H,55,2.0,s,
H,56,2.0,s,
H,57,2.0,s,
H,58,3.01,d,4.8
H,59,3.82,d,4.8
H,60,,,
H,61,1.69,s,
H,62,1.69,s,
H,63,1.69,s,
H,64,5.95,s,
H,65,5.95,s,
H,66,8.08,dd,"8.2,1.4"
H,67,7.27,dd,"8.2,4.5"
H,68,8.68,dd,"4.5,1.4"
H,69,4.66,qd,"6.7,6.5"
H,70,1.38,d,6.7
H,71,1.38,d,6.7
H,72,1.38,d,6.7
H,73,2.55,qd,"6.7,6.5"
H,74,1.21,d,6.7
H,75,1.21,d,6.7
H,76,1.21,d,6.7
H,77,4.75,d,3.4
H,78,4.7,dd,"4.7,3.4"
H,79,2.1,s,
H,80,2.1,s,
H,81,2.1,s,
H,82,4.13,d,4.7
H,83,,,
H,84,1.54,s,
H,85,1.54,s,
H,86,1.54,s,
H,87,,,
