C,1,20.79,s,
C,2,169.89,s,
O,3,,,
O,4,,,
C,5,76.9,s,
C,6,52.9,s,
O,7,,,
C,8,55.37,s,
C,9,40.59,s,
C,10,77.29,s,
O,11,,,
C,12,57.58,s,
O,13,,,
C,14,55.77,s,
C,15,44.75,s,
C,16,50.54,s,
C,17,28.2,s,
C,18,73.23,s,
O,19,,,
C,20,168.41,s,
C,21,19.81,s,
O,22,,,
C,23,42.4,s,
C,24,16.87,s,
C,25,50.54,s,
C,26,39.3,s,
C,27,,,
O,28,,,
C,29,58.38,s,
C,30,42.36,s,
C,31,15.05,s,
C,32,77.06,s,
C,33,39.42,s,
C,34,137.08,s,
C,35,19.61,s,
C,36,125.46,s,
C,37,54.63,s,
O,38,,,
C,39,166.77,s,
O,40,,,
O,41,,,
C,42,48.25,s,
C,43,12.21,s,
H,44,2.0,s,
H,45,2.0,s,
H,46,2.0,s,
H,47,4.77,d,1.7
H,48,4.52,dd,"6.6,1.7"
H,49,3.36,ddd,"6.6,4.6,1.4"
H,50,2.27,dd,"12.4,4.6"
H,51,2.27,dd,"12.4,1.4"
H,52,,,
H,53,2.97,d,8.1
H,54,3.37,dd,"9.1,8.1"
H,55,2.47,ddd,"10.2,9.1,6.4"
H,56,1.61,ddd,"10.2,9.6,8.9"
H,57,1.88,ddd,"12.4,8.9,2.4"
H,58,1.88,ddd,"12.4,9.6,6.9"
H,59,4.77,dd,"6.9,2.4"
H,60,2.01,s,
H,61,2.01,s,
H,62,2.01,s,
H,63,1.35,s,
H,64,1.35,s,
H,65,1.35,s,
H,66,1.61,ddd,"11.3,6.4,5.4"
H,67,2.74,dd,"18.4,5.4"
H,68,2.74,dd,"18.4,11.3"
H,69,2.39,d,5.8
H,70,2.01,qdd,"6.6,5.8,5.1"
H,71,0.99,d,6.6
H,72,0.99,d,6.6
H,73,0.99,d,6.6
H,74,4.43,ddd,"12.1,5.1,2.9"
H,75,2.72,dd,"15.4,2.9"
H,76,2.72,dd,"15.4,12.1"
H,77,2.12,s,
H,78,2.12,s,
H,79,2.12,s,
H,80,4.93,s,
H,81,4.93,s,
H,82,,,
H,83,1.46,s,
H,84,1.46,s,
H,85,1.46,s,
