C,1,20.81,s,
C,2,172.51,s,
O,3,,,
O,4,,,
C,5,73.76,s,
C,6,40.19,s,
C,7,11.04,s,
C,8,69.64,s,
O,9,,,
C,10,102.57,s,
C,11,144.06,s,
O,12,,,
C,13,111.7,s,
C,14,25.0,s,
O,15,,,
C,16,159.8,s,
C,17,113.0,s,
C,18,8.1,s,
C,19,172.2,s,
O,20,,,
C,21,111.0,s,
C,22,130.14,s,
C,23,126.72,s,
C,24,76.5,s,
O,25,,,
C,26,183.83,s,
O,27,,,
C,28,106.4,s,
C,29,8.64,s,
C,30,145.66,s,
N,31,,,
C,32,164.83,s,
O,33,,,
C,34,114.3,s,
C,35,132.45,s,
C,36,126.66,s,
C,37,137.07,s,
C,38,38.39,s,
C,39,17.1,s,
C,40,73.43,s,
O,41,,,
C,42,33.13,s,
C,43,11.27,s,
C,44,77.44,s,
O,45,,,
C,46,37.27,s,
C,47,8.67,s,
C,48,194.75,s,
O,49,,,
H,50,2.01,s,
H,51,2.01,s,
H,52,2.01,s,
H,53,5.06,dd,"2.0,1.5"
H,54,2.12,dqd,"11.5,6.6,2.0"
H,55,0.82,d,6.6
H,56,0.82,d,6.6
H,57,0.82,d,6.6
H,58,4.34,dd,"11.5,4.5"
H,59,,,
H,60,4.84,d,4.5
H,61,6.39,s,
H,62,1.42,s,
H,63,1.42,s,
H,64,1.42,s,
H,65,2.14,s,
H,66,2.14,s,
H,67,2.14,s,
H,68,,,
H,69,4.52,s,
H,70,,,
H,71,1.98,s,
H,72,1.98,s,
H,73,1.98,s,
H,74,,,
H,75,6.16,s,
H,76,6.87,d,1.8
H,77,6.18,d,1.8
H,78,5.54,d,6.2
H,79,2.45,dqd,"7.6,6.8,6.2"
H,80,0.99,d,6.8
H,81,0.99,d,6.8
H,82,0.99,d,6.8
H,83,3.92,dd,"7.6,1.7"
H,84,,,
H,85,1.98,dqd,"10.0,6.6,1.7"
H,86,0.98,d,6.6
H,87,0.98,d,6.6
H,88,0.98,d,6.6
H,89,3.15,dd,"10.0,8.5"
H,90,,,
H,91,1.4,dqd,"8.5,6.6,1.5"
H,92,0.68,d,6.6
H,93,0.68,d,6.6
H,94,0.68,d,6.6
