C,1,58.9,s,
O,2,,,
C,3,82.6,s,
C,4,70.6,s,
O,5,,,
C,6,98.6,s,
O,7,,,
C,8,76.3,s,
C,9,68.7,s,
O,10,,,
C,11,50.0,s,
N,12,,,
C,13,65.0,s,
C,14,65.2,s,
C,15,18.8,s,
O,16,,,
O,17,,,
C,18,72.1,s,
C,19,60.5,s,
O,20,,,
C,21,72.1,s,
O,22,,,
C,23,96.7,s,
O,24,,,
C,25,61.3,s,
C,26,69.6,s,
O,27,,,
C,28,171.18,s,
C,29,20.68,s,
O,30,,,
C,31,68.8,s,
O,32,,,
C,33,173.6,s,
C,34,20.88,s,
O,35,,,
C,36,71.9,s,
O,37,,,
C,38,97.7,s,
O,39,,,
C,40,71.9,s,
C,41,174.81,s,
O,42,,,
O,43,,,
C,44,72.75,s,
O,45,,,
C,46,73.4,s,
O,47,,,
C,48,71.4,s,
O,49,,,
H,50,3.88,s,
H,51,3.88,s,
H,52,3.88,s,
H,53,3.83,dd,"4.8,3.2"
H,54,3.76,dd,"3.2,2.9"
H,55,,,
H,56,5.17,d,2.9
H,57,4.51,dd,"9.5,8.1"
H,58,4.59,ddd,"8.7,8.1,7.6"
H,59,,,
H,60,3.45,dd,"9.4,8.7"
H,61,3.45,dd,"9.4,7.6"
H,62,,,
H,63,3.79,dd,"9.5,4.8"
H,64,4.24,qd,"6.1,4.8"
H,65,1.34,d,6.1
H,66,1.34,d,6.1
H,67,1.34,d,6.1
H,68,,,
H,69,3.85,dt,"6.6,5.4"
H,70,3.89,d,5.4
H,71,3.89,d,5.4
H,72,,,
H,73,3.85,dd,"6.6,4.8"
H,74,5.62,d,6.3
H,75,3.94,dd,"9.4,3.9"
H,76,3.94,dd,"10.5,9.4"
H,77,5.37,ddd,"10.5,5.1,3.9"
H,78,2.02,s,
H,79,2.02,s,
H,80,2.02,s,
H,81,5.28,dd,"5.7,5.1"
H,82,2.05,s,
H,83,2.05,s,
H,84,2.05,s,
H,85,4.27,dd,"6.3,5.7"
H,86,5.15,d,2.5
H,87,3.88,d,8.8
H,88,,,
H,89,3.49,dd,"8.8,4.4"
H,90,,,
H,91,3.5,dd,"4.4,2.4"
H,92,,,
H,93,3.57,dd,"2.5,2.4"
H,94,,,
